%chk=000036476.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036476

0 1
 O   0.9084000     -0.5126000      0.2734000    
 O  -0.5412000       1.013100       1.816700    
 O   0.7339000       1.485900     -0.8555000    
 N  -0.3705000      -3.190400      0.2209000    
 C  -0.4981000     -0.7070000      0.1740000    
 C  -0.9328000     -0.7482000      -1.291600    
 C  -0.8774000      -1.995400      0.9162000    
 C  -0.4592000      -2.035400      -1.961600    
 C  -0.8775000      -3.264800      -1.155300    
 C   -1.116500      0.4659000      0.8787000    
 C  -0.7203000      -4.401800      0.9626000    
 C   -2.445600      0.9650000      0.4256000    
 C    1.391700      0.6292000     -0.2857000    
 C   -3.581000      0.4347000      0.9971000    
 C   -2.490000       1.938600     -0.5475000    
 C    2.864500      0.7117000     -0.1165000    
 C   -4.825000      0.9019000      0.5733000    
 C   -3.734200       2.405800     -0.9712000    
 C   -4.901600       1.887400     -0.4107000    
 C    3.456100       1.954700     -2.1500001E-02
 C    3.595800     -0.4570000     -5.8800001E-02
 C    4.839700       2.032300      0.1378000    
 C    4.979400     -0.3793000      0.1006000    
 C    5.601300      0.8655000      0.1989000    
 H  -0.6046000      8.7300003E-02  -1.911900    
 H   -2.027500     -0.7654000      -1.369200    
 H  -0.4418000      -1.965500       1.923900    
 H   -1.966000      -2.066800       1.035500    
 H  -0.8788000      -2.100900      -2.972200    
 H   0.6324000      -2.016600      -2.071500    
 H   -1.971500      -3.359100      -1.164900    
 H  -0.4699000      -4.152900      -1.653500    
 H  -0.2988000      -4.369600       1.973500    
 H  -0.2968000      -5.287000      0.4753000    
 H   -1.804600      -4.538600       1.044700    
 H   -3.528800     -0.3273000       1.768300    
 H   -1.593500       2.361500     -0.9853000    
 H   -5.734000      0.4996000       1.010700    
 H   -3.794100       3.175200      -1.735500    
 H   -5.870300       2.252000     -0.7398000    
 H    2.873300       2.870000     -6.4199999E-02
 H    3.137600      -1.437600     -0.1468000    
 H    5.324000       3.001400      0.2150000    
 H    5.573100      -1.287700      0.1450000    
 H    6.678600      0.9259000      0.3224000    


%chk=000036476-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036476

0 1
O 0.860975 -0.638708 0.163099
O -1.019643 0.296953 2.130221
O 0.564510 1.593383 -0.423632
N -0.264691 -3.353874 0.051788
C -0.623279 -0.856354 0.034419
C -0.996963 -0.944459 -1.460331
C -0.876365 -2.209411 0.748394
C -0.372230 -2.191702 -2.125288
C -0.729632 -3.470867 -1.347195
C -1.365997 0.213456 0.918057
C -0.414395 -4.602676 0.820826
C -2.579566 0.956108 0.433423
C 1.328905 0.641761 -0.103801
C -3.716828 0.954871 1.287414
C -2.618188 1.706491 -0.771241
C 2.808846 0.739086 0.028405
C -4.886466 1.653045 0.923855
C -3.784024 2.420131 -1.121856
C -4.924539 2.386199 -0.285743
C 3.420765 2.002065 -0.182696
C 3.603203 -0.391959 0.353306
C 4.819610 2.133563 -0.069591
C 5.002642 -0.253954 0.463999
C 5.612622 1.005984 0.253245
H -0.680472 -0.030173 -1.987359
H -2.100650 -0.999551 -1.533439
H -0.463771 -2.130714 1.768786
H -1.991819 -2.327401 0.841368
H -0.733526 -2.273241 -3.167797
H 0.728119 -2.091456 -2.152473
H -1.839677 -3.643383 -1.399614
H -0.238140 -4.348253 -1.806679
H 0.029190 -4.478361 1.824699
H 0.123267 -5.419641 0.307194
H -1.480988 -4.919554 0.951351
H -3.664707 0.407183 2.234702
H -1.720447 1.781063 -1.388440
H -5.761164 1.634505 1.583265
H -3.797694 3.014859 -2.041932
H -5.829247 2.937218 -0.566417
H 2.785453 2.859359 -0.428648
H 3.114893 -1.357132 0.514891
H 5.291922 3.108719 -0.229795
H 5.617988 -1.124671 0.715119
H 6.700096 1.109194 0.341541


