%chk=000019378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019378

0 1
 O    1.195300     -0.1162000     -0.9790000    
 O    2.034100      -1.783200      0.3689000    
 N   -2.841600     -0.1088000      0.1272000    
 C  -0.1186000     -0.6285000     -0.7976000    
 C  -0.4857000     -0.6109000      0.6836000    
 C   -1.099300      0.2257000      -1.594600    
 C   -1.950900     -0.9890000      0.8971000    
 C   -2.545900     -0.1776000      -1.311100    
 C   -4.241400     -0.4508000      0.3787000    
 C   -5.179700      0.5413000     -0.3094000    
 C    2.199200     -0.7935000     -0.3332000    
 C    3.551000     -0.1700000     -0.6666000    
 C   -6.626500      0.2130000     -3.9400000E-02
 C    3.655800       1.304900     -0.3018000    
 C    4.726700     -0.9754000     -0.1282000    
 C   -7.303300     -0.6392000     -0.8992000    
 C   -7.256500      0.7680000       1.064300    
 C    4.478500       2.119700      -1.051600    
 C    5.202100     -0.6951000       1.135900    
 C    2.924300       1.780400      0.7668000    
 C    5.278400      -1.959500     -0.9215000    
 C   -8.641500     -0.9431000     -0.6495000    
 C   -8.594700      0.4639000       1.314000    
 C   -9.287200     -0.3916000      0.4570000    
 C    4.574400       3.470600     -0.7177000    
 C    6.278400      -1.432500       1.629100    
 C    3.020200       3.131400       1.100600    
 C    6.354700      -2.697100     -0.4281000    
 C    3.845200       3.976400      0.3582000    
 C    6.854600      -2.433400      0.8472000    
 H  -0.1541000      -1.656300      -1.182900    
 H   0.1077000      -1.295800       1.291900    
 H  -0.2957000      0.3890000       1.097400    
 H  -0.9489000       1.286700      -1.352800    
 H  -0.8838000      0.1328000      -2.666000    
 H   -2.174300     -0.8968000       1.967000    
 H   -2.104900      -2.040600      0.6208000    
 H   -2.734200      -1.185100      -1.704700    
 H   -3.152800      0.5230000      -1.889700    
 H   -4.434500     -0.4203000       1.459300    
 H   -4.461500      -1.475300      4.8700001E-02
 H   -4.966300       1.565000      2.6000001E-02
 H   -5.063500      0.5512000      -1.397700    
 H    3.602700     -0.2227000      -1.766200    
 H   -6.808900      -1.076200      -1.762200    
 H   -6.725100       1.433800       1.738400    
 H    5.050300       1.734000      -1.890300    
 H    4.766300      5.7399999E-02   1.782600    
 H    2.289100       1.142500       1.372800    
 H    4.894400      -2.173900      -1.914100    
 H   -9.180500      -1.609800      -1.316200    
 H   -9.097500      0.8927000       2.175900    
 H   -10.32910     -0.6287000      0.6517000    
 H    5.217200       4.128500      -1.295300    
 H    6.664500      -1.231500       2.624200    
 H    2.455700       3.524800       1.941000    
 H    6.802800      -3.477300      -1.036400    
 H    3.920700       5.028000      0.6188000    
 H    7.691600      -3.008800       1.231900    


%chk=000019378-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019378

0 1
O 1.139928 0.169069 -0.442806
O 2.098617 -0.210474 1.648816
N -3.101716 -0.044519 -0.091467
C -0.196044 -0.284651 0.078392
C -0.938316 0.898445 0.718406
C -0.970623 -0.843162 -1.119480
C -2.371151 0.465404 1.097549
C -2.404499 -1.214433 -0.681026
C -4.533891 -0.303604 0.193961
C -5.409833 -0.329040 -1.088702
C 2.207412 0.150629 0.452894
C 3.495348 0.581782 -0.260118
C -6.885607 -0.479069 -0.750844
C 4.225081 1.740008 0.438680
C 4.390293 -0.660664 -0.453956
C -7.483628 -1.761574 -0.645787
C -7.686843 0.662009 -0.485405
C 4.947242 2.652810 -0.373059
C 5.087291 -1.244765 0.633078
C 4.243231 1.916031 1.845660
C 4.505680 -1.243309 -1.740162
C -8.843556 -1.902398 -0.286977
C -9.046947 0.527518 -0.126620
C -9.630500 -0.757006 -0.025148
C 5.674574 3.716746 0.202981
C 5.889051 -2.389398 0.432348
C 4.967853 2.984512 2.421996
C 5.311066 -2.387273 -1.942524
C 5.687328 3.887117 1.606913
C 6.005819 -2.964139 -0.855330
H -0.006612 -1.067962 0.838189
H -0.399080 1.247827 1.616948
H -0.991169 1.728123 -0.010036
H -1.018576 -0.075805 -1.913178
H -0.456579 -1.732697 -1.527459
H -2.922170 1.333419 1.502609
H -2.321509 -0.305671 1.911627
H -2.361521 -2.066661 0.049509
H -2.970617 -1.567754 -1.560193
H -4.902545 0.511894 0.844762
H -4.684764 -1.258100 0.760357
H -5.222225 0.611555 -1.638255
H -5.089959 -1.161528 -1.743320
H 3.186806 0.925136 -1.262232
H -6.880439 -2.654470 -0.854372
H -7.241489 1.661615 -0.569022
H 4.944194 2.524774 -1.462781
H 5.002582 -0.804178 1.631750
H 3.679886 1.226810 2.482834
H 3.962583 -0.801582 -2.584838
H -9.289494 -2.901127 -0.215119
H -9.651548 1.420641 0.068980
H -10.685815 -0.863544 0.250208
H 6.226191 4.411455 -0.440552
H 6.424387 -2.832880 1.279541
H 4.968926 3.110492 3.510787
H 5.395411 -2.825016 -2.943660
H 6.248528 4.713426 2.057598
H 6.631458 -3.850594 -1.008943


