%chk=000031883.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031883

0 1
 O  -0.1234000      -1.257900      0.3567000    
 O  -0.7074000       3.468900     -0.1638000    
 O    1.442500      -2.693200     -0.4758000    
 N   -3.480500      -2.770100      0.5867000    
 N    2.047500     -0.4661000      0.1118000    
 C   -2.444900      -1.755400      0.7123000    
 C   -4.612700      -2.466600       1.465300    
 C   -3.933700      -2.878800     -0.8022000    
 C   -1.106200      -2.292500      0.2315000    
 C   -5.273200      -1.154800       1.076500    
 C   -4.965700      -3.982800     -0.9581000    
 C    1.655700      0.7743000      0.6163000    
 C   -2.998000       3.526900     -0.8590000    
 C   -1.702200       2.728300     -0.8574000    
 C    1.152000      -1.580400     -3.7999999E-02
 C   -4.118900       2.780600      -1.576800    
 C    3.445200     -0.6421000     -0.2863000    
 C   0.6609000       1.507200     -3.1099999E-02
 C   0.2692000       2.747700      0.4726000    
 C    2.258500       1.281500       1.767300    
 C   0.8723000       3.254900       1.623600    
 C    1.866900       2.521800       2.271000    
 C   -5.422200       3.562400      -1.538600    
 C    4.178300      0.4469000     -0.7582000    
 C    4.044400      -1.898400     -0.1931000    
 C    5.510200      0.2796000      -1.137200    
 C    5.376400      -2.065500     -0.5720000    
 C    6.109200     -0.9765000      -1.044000    
 H   -2.309700      -1.456600       1.760900    
 H   -2.678700     -0.8310000      0.1679000    
 H   -5.346900      -3.278800       1.487200    
 H   -4.256700      -2.395400       2.501400    
 H   -3.089200      -3.172300      -1.435800    
 H   -4.305200      -1.939200      -1.226500    
 H  -0.8016000      -3.152200      0.8408000    
 H   -1.144600      -2.593900     -0.8199000    
 H   -4.592200     -0.2993000       1.089100    
 H   -5.779000      -1.193800      0.1078000    
 H   -6.054600     -0.9282000       1.812200    
 H   -4.641400      -4.911900     -0.4767000    
 H   -5.945900      -3.701800     -0.5615000    
 H   -5.109600      -4.202000      -2.022200    
 H   -3.289800       3.744600      0.1762000    
 H   -2.825600       4.501400      -1.332800    
 H   -1.902600       1.764900     -0.3702000    
 H   -1.367800       2.553100      -1.886500    
 H   -3.836800       2.599000      -2.620300    
 H   -4.275800       1.801800      -1.108200    
 H   0.2352000       1.110900     -0.9494000    
 H    3.028600      0.7205000       2.291000    
 H   0.5708000       4.220300       2.020800    
 H    2.334700       2.916000       3.168400    
 H   -5.309900       4.536000      -2.026200    
 H   -6.210700       3.010300      -2.059600    
 H   -5.749400       3.729700     -0.5074000    
 H    3.740400       1.435300     -0.8651000    
 H    3.552400      -2.761700      0.2401000    
 H    6.080100       1.126400      -1.508500    
 H    5.849200      -3.039300     -0.4828000    
 H    7.147300      -1.106100      -1.335900    


%chk=000031883-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031883

0 1
O -0.329565 -1.691980 0.688589
O -1.076097 3.573736 0.084788
O 1.231800 -2.905850 -0.555033
N -3.421398 -3.660721 1.429868
N 1.580618 -0.616339 0.003332
C -2.504454 -2.497260 1.372802
C -4.241124 -3.733906 2.665079
C -4.159743 -3.879227 0.159680
C -1.156880 -2.928860 0.776976
C -5.335238 -2.642796 2.828755
C -4.794058 -5.278523 0.055619
C 1.000560 0.513556 0.726248
C -2.183731 4.674706 -1.762879
C -1.324747 3.472364 -1.367763
C 0.877993 -1.829035 -0.008594
C -2.506240 4.686068 -3.275714
C 2.850768 -0.421902 -0.662811
C 0.245895 1.463651 0.003184
C -0.305564 2.572581 0.690129
C 1.227676 0.656013 2.108892
C -0.092807 2.725193 2.084631
C 0.669953 1.769363 2.782233
C -3.378012 5.894455 -3.679472
C 3.549428 0.799580 -0.448387
C 3.420777 -1.396999 -1.528946
C 4.783271 1.038911 -1.087608
C 4.656740 -1.139104 -2.159825
C 5.349243 0.074183 -1.950649
H -2.332916 -2.114140 2.394945
H -2.911978 -1.648081 0.776496
H -4.712178 -4.733252 2.708348
H -3.546148 -3.684791 3.525008
H -3.433038 -3.763111 -0.666386
H -4.945962 -3.099649 -0.006545
H -0.648984 -3.662661 1.426213
H -1.260390 -3.368238 -0.230948
H -4.896256 -1.628092 2.814721
H -6.091721 -2.700068 2.025025
H -5.859980 -2.771505 3.793848
H -4.030418 -6.056716 0.230888
H -5.609236 -5.422637 0.787492
H -5.223656 -5.426999 -0.952145
H -3.122817 4.654710 -1.177276
H -1.650906 5.604014 -1.484110
H -1.848172 2.518182 -1.587834
H -0.355967 3.478896 -1.910258
H -1.561055 4.701376 -3.855761
H -3.027450 3.746478 -3.551115
H 0.102127 1.316876 -1.070410
H 1.821183 -0.092038 2.642644
H -0.529726 3.591548 2.590273
H 0.833620 1.891920 3.858231
H -2.868466 6.847201 -3.442895
H -3.598494 5.888037 -4.762320
H -4.341870 5.885760 -3.137013
H 3.135189 1.560727 0.217394
H 2.907387 -2.344851 -1.689522
H 5.302171 1.986568 -0.904009
H 5.078339 -1.903718 -2.822361
H 6.307905 0.262996 -2.445441


