Time step in fs:    1.0 
Total number of steps:    10000 
Total number of excited states:      3 
Initial excited state:      2 
Number of atoms in molecule:   5865 
Number of QM atoms in system:     70 
 c          12.01 5.85569436797274E+01 5.54105496684728E+01 4.44973812510582E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 6.11572068385781E+01 5.53179530879614E+01 4.32803976214799E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 6.10910664239271E+01 5.61910065613546E+01 4.05610817162574E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 5.89575656198992E+01 5.46811153811790E+01 3.91551254733905E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 5.63648613655801E+01 5.53406298015561E+01 4.02209310123380E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 5.44411201623025E+01 5.33318509222986E+01 3.92609501368321E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 5.24701358057028E+01 5.37079064227429E+01 3.97352713961864E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 5.49135516955239E+01 5.14553528723432E+01 3.99828255195944E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 5.45941879790662E+01 5.32808283167107E+01 3.72030383781197E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 5.54823592615225E+01 5.79163265206792E+01 3.91948097221811E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 5.35945228547697E+01 5.84643470992160E+01 3.98221987982992E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 5.55050359751171E+01 5.78823114502872E+01 3.71312287850700E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 5.66842250820377E+01 5.94772403064427E+01 3.98070809892361E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 5.93374005726092E+01 5.26591084189913E+01 3.93289802776160E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 5.89518964415005E+01 5.50741784168192E+01 3.71293390589371E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 6.07357979109446E+01 5.82224621542067E+01 4.04628159573474E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 6.28919754285671E+01 5.57620387291896E+01 3.96483439940737E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 6.24195438953457E+01 5.65292675391411E+01 4.43707696001549E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 6.18715233168088E+01 5.33942118846838E+01 4.34863777699644E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 5.85399361445315E+01 5.53803140503467E+01 4.73527574378484E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 5.67371374137586E+01 5.59396729856808E+01 4.81880163885839E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 6.00365992417769E+01 5.66407613809814E+01 4.80084924059598E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 5.90898464492012E+01 5.35699564150422E+01 4.81747883056537E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 5.63705305439787E+01 5.53349606231574E+01 4.31556756967094E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 5.37816057419254E+01 5.54199982991373E+01 4.42876216503079E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 5.24663563534370E+01 5.67409168660243E+01 4.34164579030477E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 5.29387878866584E+01 5.38023927293871E+01 4.61036484640110E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 5.42332502876851E+01 5.23548625115967E+01 4.67858395979828E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 5.04859233661728E+01 5.36852297091482E+01 4.71940204426861E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 4.85640718890281E+01 5.58262894177077E+01 4.66441101380163E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 4.71486670154968E+01 5.51951208893239E+01 4.52797278700729E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 4.94484637192186E+01 5.75270429373047E+01 4.58787710541976E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 4.76022012873894E+01 5.63648613655801E+01 4.83883273586698E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 4.97942836015367E+01 5.16424357594989E+01 4.85262773663704E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 5.11756734046761E+01 5.01533315667850E+01 4.88607588918912E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 4.72752786664001E+01 5.11359891558855E+01 4.95656267394575E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 4.58334176270084E+01 5.25929680043403E+01 4.93804335784347E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 4.66195436982888E+01 4.88872150577516E+01 5.05860788512158E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 4.80462869286175E+01 4.74075594957021E+01 5.06748959794614E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 4.42441579492516E+01 4.80349485718202E+01 5.17369220661431E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 4.22089229041337E+01 4.99738075841608E+01 5.20959700313914E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 4.20917598838948E+01 5.05388356978936E+01 5.40764030186556E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 4.03664399245702E+01 4.92387041184683E+01 5.15290521915257E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 4.24564770275417E+01 5.17595987797378E+01 5.10925254548291E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 4.38794408056046E+01 4.56860189886433E+01 5.25986371827390E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 4.54063395209762E+01 4.43178572684341E+01 5.24039953910518E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 4.17818447981016E+01 4.47260381131374E+01 5.40178215085361E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 4.02360488214011E+01 4.60205005141641E+01 5.43844283783159E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 n          14.01 4.16155488984076E+01 4.23015194846451E+01 5.49418975875172E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 4.28684373245108E+01 4.10183954404158E+01 5.42653756319441E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 3.91059925939355E+01 4.12489420286278E+01 5.55277126887117E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 3.80231795197920E+01 4.26643469021592E+01 5.65727312401975E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 3.80477459595195E+01 4.08577687191205E+01 5.37986132771214E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 3.94612611069180E+01 3.88848946363879E+01 5.71302004493988E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 4.04344700653541E+01 3.74770486673881E+01 5.59755777822056E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 4.06669063796990E+01 3.93837823354697E+01 5.87307984839529E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 3.69554842547116E+01 3.77189336123974E+01 5.81071888601006E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 3.59274732384218E+01 3.92477220539019E+01 5.90350443913475E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 3.57914129568541E+01 3.71935897474552E+01 5.64876935642176E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 3.74260260618002E+01 3.54304752654729E+01 5.97663684047742E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 3.56893677456783E+01 3.45271861739536E+01 6.04221033728856E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 3.85239569450067E+01 3.40018423090114E+01 5.87610341020791E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 h          1.008 3.84748240655517E+01 3.60389670802621E+01 6.14368863062451E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 o           16.0 4.21484516678814E+01 3.72219356394485E+01 5.13911021838251E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 4.12319344934318E+01 3.53889012905494E+01 5.02629356824923E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 o           16.0 3.96672412554025E+01 3.41492409473765E+01 5.14175583496855E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 4.10958742118641E+01 3.52377231999186E+01 4.73659855207787E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 f           19.0 3.98297577028307E+01 3.71444568680002E+01 4.63795484794123E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 f           19.0 4.35052750312933E+01 3.52244951169884E+01 4.63644306703493E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 f           19.0 3.99903844241260E+01 3.30985532174920E+01 4.66082053414915E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   q 
 c          12.01 6.08435123005191E+01 5.58603044880996E+00 5.82659258552630E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
cl          35.45 5.80580559806456E+01 6.66695379682055E+00 5.68731976953263E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
 h          1.008 6.17562500227028E+01 4.30668585684638E+00 5.69072127657183E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
 h          1.008 6.18828616736062E+01 7.34914493079227E+00 5.86306429989100E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
cl          35.45 6.01235266438896E+01 4.33503174883967E+00 6.12516931452223E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
 c          12.01 1.12552088474669E+01 5.64555682199586E+01 8.26433929694878E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
cl          35.45 8.58880527396525E+00 5.82753744859275E+01 8.38490382422689E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 1.02460950925060E+01 5.32808283167107E+01 8.29986614824703E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 2.22609738453929E+01 2.87748598254497E+01 9.25209914660811E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 2.71969385044902E+01 3.15451983362600E+01 9.23452469357227E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 1.88745846152618E+01 9.53688087483397E+01 6.49820125315386E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 1.98440141214321E+01 9.50343272228190E+01 5.95093656507018E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 6.17486911181713E+01 8.24808765220597E+01 2.65941158680997E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 6.00422684201755E+01 8.03700524316264E+01 2.15598854500923E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 4.32388236465564E+01 2.92472913586711E+01 4.28098558143914E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 4.15380701269593E+01 2.46817130216194E+01 4.05535228117259E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 5.76593237666067E+01 3.58405458363091E+01 4.87776109420442E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 5.96359773016051E+01 3.44497074025053E+01 5.36247584728959E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 6.53561783058500E+01 7.50221274755600E+01 4.22788427710505E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 6.76843209015651E+01 7.99032900768037E+01 4.23544318163659E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 3.48314320813482E+01 5.72341353867075E+01 2.38426746186182E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 3.68477698651372E+01 5.41538817901039E+01 1.96909463046684E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 3.41038875201872E+01 9.06822879387834E+01 4.41591202732717E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 3.48465498904113E+01 8.99982070786788E+01 4.94314561840227E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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cl          35.45 4.95486192042616E+00 1.72909941159036E+01 5.44448996145683E+01  0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00   m 
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