%chk=000003509.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003509

0 1
 O    1.995800      0.3960000       1.289900    
 O    1.859600      -2.219900      0.5013000    
 O    5.463200      0.6115000       1.825400    
 O    3.652500       1.333200       3.007200    
 O   7.5900003E-02   1.961800      -3.319500    
 N   0.7833000       1.934700      -1.103000    
 N    3.070100     -0.8290000      -2.013700    
 N  -0.4203000      -1.999200      0.1060000    
 C    1.257800      0.5624000      -1.067600    
 C    2.725700      0.5127000      -1.533000    
 C    1.025200     -1.3800000E-02  0.3393000    
 C    3.665300      0.9394000     -0.3991000    
 C    3.349000      0.2044000      0.8966000    
 C   0.8674000      -1.508100      0.3242000    
 C    4.133900      0.7810000       2.029100    
 C   -1.565100      -1.121000     -9.8800004E-02
 C  -0.7147000      -3.429400      6.6699997E-02
 C   0.2339000       2.509100      -2.231400    
 C   -2.265200     -0.7568000       1.208200    
 C  -0.5920000      -4.009000      -1.337400    
 C  -0.1975000       3.930200      -1.987000    
 C   -3.468600      0.1305000       1.003800    
 C  -0.9185000      -5.494700      -1.391100    
 C   -3.322000       1.517600       1.013000    
 C   -4.727600     -0.4364000      0.8053000    
 C   -4.434200       2.337800      0.8239000    
 C   -5.839800      0.3839000      0.6162000    
 C   -5.693000       1.771100      0.6254000    
 H   0.6470000      1.4200000E-02  -1.797000    
 H    2.874300       1.197500      -2.377600    
 H   0.1169000      0.4291000      0.7482000    
 H    4.712600      0.7905000     -0.6904000    
 H    3.544500       2.020200     -0.2426000    
 H    3.604300     -0.8562000      0.8446000    
 H   0.9163000       2.506500     -0.2734000    
 H    4.030000     -0.8345000      -2.355900    
 H    2.479300      -1.070700      -2.808200    
 H   -2.271900      -1.634400     -0.7643000    
 H   -1.284100     -0.2191000     -0.6471000    
 H   -1.714800      -3.604100      0.4798000    
 H  -2.2000000E-03  -3.941000      0.7248000    
 H   -2.583100      -1.671500       1.726200    
 H   -1.574200     -0.2727000       1.908800    
 H   -1.261300      -3.474300      -2.021800    
 H   0.4258000      -3.851100      -1.714400    
 H   -1.022100       3.945300      -1.268700    
 H  -0.5320000       4.381000      -2.925400    
 H   0.6397000       4.514600      -1.594700    
 H    5.996900      0.9857000       2.558500    
 H  -0.8168000      -5.869100      -2.414500    
 H   -1.945100      -5.680900      -1.060100    
 H  -0.2408000      -6.066700     -0.7496000    
 H   -2.345300       1.970500       1.163200    
 H   -4.854100      -1.515700      0.7938000    
 H   -4.319700       3.417800      0.8298000    
 H   -6.820000     -5.7300001E-02  0.4609000    
 H   -6.559000       2.409700      0.4775000    


%chk=000003509-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003509

0 1
O 2.047579 0.536480 1.234979
O 1.806339 -2.224016 0.483593
O 5.609396 0.225025 1.717957
O 4.128819 1.817283 2.546049
O 0.075653 2.453360 -3.052116
N 0.991061 2.178088 -0.934253
N 2.655813 -1.014141 -2.097585
N -0.471515 -1.942127 0.135566
C 1.179894 0.722755 -1.077059
C 2.593254 0.387623 -1.663944
C 0.974472 0.094375 0.327770
C 3.690312 0.826459 -0.641806
C 3.419112 0.228256 0.765775
C 0.804468 -1.445721 0.317602
C 4.355824 0.858450 1.783184
C -1.685113 -1.115920 -0.059329
C -0.646388 -3.417268 0.095153
C 0.458847 2.956337 -1.950708
C -2.424373 -0.790561 1.273464
C -0.523919 -3.987261 -1.337514
C 0.359083 4.450149 -1.654111
C -3.694058 0.007609 1.016880
C -0.712213 -5.518698 -1.354262
C -3.628414 1.405081 0.776365
C -4.959798 -0.629750 0.960958
C -4.795228 2.146300 0.487252
C -6.130707 0.107921 0.672719
C -6.051722 1.499061 0.433274
H 0.437134 0.351900 -1.803865
H 2.696500 1.013926 -2.568754
H 0.082882 0.555557 0.785560
H 4.682315 0.490320 -0.992335
H 3.709843 1.931952 -0.571471
H 3.558760 -0.866624 0.759284
H 1.333960 2.608463 -0.070938
H 2.729931 -1.714942 -1.352915
H 3.258771 -1.188572 -2.902782
H -2.370467 -1.673972 -0.723372
H -1.442426 -0.181101 -0.591737
H -1.639848 -3.657849 0.520653
H 0.127791 -3.866790 0.740180
H -2.659219 -1.740646 1.788515
H -1.736684 -0.228117 1.933657
H -1.275172 -3.507034 -1.995658
H 0.470230 -3.717113 -1.738106
H -0.690532 4.770586 -1.770866
H 0.952373 5.006936 -2.400159
H 0.707860 4.723950 -0.643435
H 6.234547 0.673672 2.349742
H -0.624560 -5.917617 -2.380479
H -1.707257 -5.807079 -0.964731
H 0.052379 -6.019262 -0.731382
H -2.658534 1.917815 0.823716
H -5.029518 -1.708356 1.151287
H -4.726758 3.224900 0.306451
H -7.101423 -0.399457 0.638069
H -6.958156 2.072707 0.210312


