%chk=000068413.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068413

0 1
 O    3.374700      0.9375000     -0.3949000    
 O   -5.065600      -1.552100       1.121900    
 O   -5.201300       1.047700      0.4310000    
 O    2.458700       4.586200     -0.6643000    
 O    3.919300       3.642400      0.8044000    
 O   -3.119200       2.823200      -1.615200    
 O   -2.583900       3.225700      0.4828000    
 N    1.122800      -3.468500     -0.4571000    
 N  -0.5166000      0.7521000     -0.7104000    
 N   -2.865100       2.464900     -0.4554000    
 C  -0.3737000      -1.581100     -0.4488000    
 C   0.1988000      -2.715200      0.4259000    
 C   0.5123000     -0.2644000     -0.5329000    
 C    1.344700      4.8500001E-02  0.7484000    
 C    1.999200      -1.246600       1.302300    
 C   0.8614000      -2.196800       1.698400    
 C  -0.4219000      -2.275000      -1.819300    
 C   0.8768000      -3.064800      -1.848400    
 C   -1.754900      -1.057900     -6.6600002E-02
 C    2.928400      -1.949200      0.3174000    
 C    2.533600      -3.358600     -6.7400001E-02
 C    2.398500       1.188500      0.6167000    
 C   -1.772700      0.3724000     -0.3324000    
 C    4.003900      -1.365200     -0.2353000    
 C   -2.805700      -1.734400      0.4145000    
 C    1.797500       2.554700      0.2982000    
 C   -2.898000       1.073400     -0.1801000    
 C    4.410400      4.7300000E-02  6.0999999E-03
 C   -4.074800      -1.010400      0.6567000    
 C   -4.142900      0.4551000      0.2995000    
 C    2.855300       3.620500      0.2041000    
 H  -0.5899000      -3.420500      0.7132000    
 H    1.164900     -0.2738000      -1.412500    
 H   0.6447000      0.3993000       1.522900    
 H    2.563800      -1.010300       2.213800    
 H    1.246200      -3.031200       2.299400    
 H   0.1270000      -1.685500       2.333100    
 H  -0.4922000      -1.576400      -2.660200    
 H   -1.274400      -2.964100      -1.884600    
 H   0.7948000      -3.941400      -2.498800    
 H    1.678900      -2.431800      -2.246500    
 H    3.172400      -3.760700     -0.8644000    
 H    2.712400      -4.016500      0.7931000    
 H  -0.3411000       1.695100      -1.023600    
 H    2.910700       1.290900       1.584100    
 H    4.617200      -1.929800     -0.9335000    
 H   -2.785600      -2.799200      0.6073000    
 H    1.350600       2.521900     -0.6981000    
 H    1.047600       2.855800       1.035300    
 H    4.730600      0.2166000       1.040500    
 H    5.274700      0.2693000     -0.6293000    
 H    3.127900       5.298400     -0.7495000    


%chk=000068413-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068413

0 1
O 3.288331 0.955242 -0.651132
O -5.163667 -1.618088 0.993224
O -5.323016 1.081809 0.361688
O 2.566612 4.845167 -0.184051
O 3.741107 3.593863 1.377968
O -3.952953 3.272446 -0.585734
O -1.719457 3.030536 -0.969665
N 1.155524 -3.518683 -0.335337
N -0.547898 0.738429 -0.751263
N -2.906137 2.536938 -0.620717
C -0.371368 -1.612386 -0.421058
C 0.207631 -2.727623 0.522387
C 0.499622 -0.295060 -0.541975
C 1.363891 0.056426 0.711291
C 2.049530 -1.225497 1.291562
C 0.922436 -2.173392 1.766781
C -0.399772 -2.383708 -1.786294
C 0.919647 -3.187632 -1.771777
C -1.750357 -1.089322 -0.064778
C 2.980018 -1.980536 0.319702
C 2.583610 -3.436829 0.096245
C 2.386673 1.207552 0.485978
C -1.791405 0.351765 -0.372539
C 4.015245 -1.421972 -0.366112
C -2.856557 -1.753473 0.383562
C 1.796524 2.600121 0.208908
C -2.967224 1.129095 -0.279655
C 4.408196 0.041121 -0.334734
C -4.132202 -1.030811 0.564136
C -4.214879 0.502146 0.202497
C 2.811384 3.682854 0.545791
H -0.639794 -3.372584 0.830244
H 1.169119 -0.328082 -1.420504
H 0.671824 0.410089 1.505904
H 2.648835 -0.893999 2.165584
H 1.318267 -3.009223 2.370334
H 0.202332 -1.633338 2.408753
H -0.483073 -1.707685 -2.654415
H -1.272038 -3.061870 -1.793587
H 0.837046 -4.102772 -2.386501
H 1.756314 -2.579525 -2.182425
H 3.207286 -3.904501 -0.684705
H 2.714703 -4.041066 1.013486
H -0.420353 1.733414 -1.002236
H 2.997208 1.281977 1.414367
H 4.609430 -2.069699 -1.026348
H -2.859046 -2.826185 0.605461
H 1.516940 2.715503 -0.852326
H 0.890031 2.790997 0.815859
H 4.834559 0.331447 0.651047
H 5.163028 0.252300 -1.109500
H 3.219494 5.550301 0.078110


