%chk=000090330.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090330

0 1
 O   -1.247200      -2.038900      0.3747000    
 O    1.223600       2.045900      0.3744000    
 O   -7.876900     -0.5666000     -0.3267000    
 O    7.884300      0.5640000     -0.3263000    
 O   -7.532200       1.651800      0.1822000    
 O    7.538900      -1.654200      0.1828000    
 N  -0.6859000      0.1399000     -0.1737000    
 N   0.6619000     -0.1329000     -0.1742000    
 C   -3.010000     -0.5185000      7.6600000E-02
 C    2.986100      0.5250000      7.6600000E-02
 C   -5.682500      0.1575000      6.6999998E-03
 C    5.689600     -0.1596000      6.6999998E-03
 C   -3.372800      0.7877000      0.3301000    
 C    3.379600     -0.7891000      0.3297000    
 C   -3.936700      -1.498400     -0.2107000    
 C    3.944200       1.496800     -0.2115000    
 C   -4.724600       1.129500      0.2949000    
 C    4.731400      -1.131300      0.2948000    
 C   -5.288500      -1.156500     -0.2461000    
 C    5.296000       1.154500     -0.2464000    
 C   -1.569600     -0.8825000      0.1139000    
 C    1.577000      0.8815000      0.1128000    
 C   -7.091900      0.5138000     -2.8800000E-02
 C    7.098900     -0.5162000     -2.8500000E-02
 C   -9.289300     -0.3420000     -0.3924000    
 C    9.296500      0.3390000     -0.3915000    
 H   -2.660800       1.564700      0.5885000    
 H    2.667700      -1.569000      0.5845000    
 H   -3.645200      -2.524400     -0.4148000    
 H    3.657400       2.525200     -0.4158000    
 H   -5.011100       2.157400      0.5017000    
 H    5.017500      -2.159400      0.5010000    
 H   -5.998700      -1.945900     -0.4757000    
 H    6.006500       1.943700     -0.4758000    
 H  -0.9517000       1.074800     -0.4635000    
 H   0.9245000      -1.071000     -0.4579000    
 H   -9.773900      -1.290600     -0.6375000    
 H   -9.519200      0.3848000      -1.177100    
 H   -9.661300      4.3000001E-03  0.5764000    
 H    9.526500     -0.3880000      -1.176100    
 H    9.668200     -7.3000002E-03  0.5773000    
 H    9.781500       1.287500     -0.6367000    


%chk=000090330-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090330

0 1
O -1.208230 -2.048537 -0.050461
O 1.210199 2.050097 -0.033515
O -8.097453 -0.629613 -0.169734
O 8.098733 0.626711 -0.177311
O -7.734385 1.665034 0.012735
O 7.734864 -1.666126 0.025189
N -0.672437 0.181308 -0.016665
N 0.674139 -0.179974 -0.017282
C -3.053592 -0.439756 -0.035320
C 3.055153 0.440739 -0.027353
C -5.829755 0.137100 -0.056133
C 5.830914 -0.137708 -0.050986
C -3.506442 0.904671 0.056404
C 3.507573 -0.903061 0.075126
C -4.004416 -1.488608 -0.132671
C 4.006221 1.488307 -0.135766
C -4.883423 1.189449 0.045547
C 4.884382 -1.188638 0.062750
C -5.382209 -1.206104 -0.143993
C 5.383832 1.204983 -0.148693
C -1.610716 -0.833715 -0.033507
C 1.612479 0.835164 -0.024754
C -7.278591 0.497386 -0.064532
C 7.279523 -0.498889 -0.060562
C -9.554231 -0.357797 -0.186108
C 9.555311 0.353886 -0.195502
H -2.804554 1.741544 0.145056
H 2.805375 -1.738359 0.175533
H -3.631836 -2.515507 -0.197716
H 3.634020 2.514891 -0.207648
H -5.249362 2.218616 0.116165
H 5.250087 -2.217272 0.141794
H -6.118185 -2.010544 -0.220119
H 6.120002 2.008374 -0.233545
H -0.811149 1.197337 -0.025610
H 0.812888 -1.195881 -0.037069
H -10.023316 -1.347720 -0.271214
H -9.812396 0.281916 -1.046629
H -9.857556 0.149256 0.745145
H 9.810668 -0.293204 -1.051333
H 9.860950 -0.145530 0.739114
H 10.024721 1.342776 -0.290226


