%chk=000037468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037468

0 1
 O   0.7413000      -2.512300      0.4833000    
 N   -2.930200     -9.0200000E-02 -0.2987000    
 N    2.639400       1.634000      0.1089000    
 C  -0.8082000     -0.6912000      0.8011000    
 C   -1.597500     -0.6566000     -0.5051000    
 C   -5.860800     -0.1100000     -0.3782000    
 C   -3.694000     -0.9071000      0.6539000    
 C   -3.640000      3.4000002E-02  -1.578900    
 C  -0.7191000      0.6993000       1.469300    
 C   -5.072100     -0.2986000      0.9220000    
 C   -5.015900      0.6753000      -1.387000    
 C   0.1885000       1.684900      0.7165000    
 C    1.462700      0.9993000      0.3844000    
 C   0.5798000      -1.295600      0.5382000    
 C    1.667700     -0.3609000      0.2976000    
 C    3.036800     -0.5654000     -3.8600001E-02
 C   -7.192200      0.5885000     -0.1158000    
 C    3.620800      0.7018000     -0.1514000    
 C    2.836400       3.068700      9.4400004E-02
 C    3.844400      -1.699900     -0.2620000    
 C    4.969900      0.8859000     -0.4757000    
 C    5.195100      -1.529000     -0.5867000    
 C    5.747300     -0.2549000     -0.6914000    
 H   -1.260700      -1.381200       1.523100    
 H   -1.662600      -1.669700     -0.9259000    
 H   -1.051800     -5.7599999E-02  -1.245600    
 H   -6.074600      -1.100800     -0.8012000    
 H   -3.212300     -0.9591000       1.633700    
 H   -3.809000      -1.935500      0.2871000    
 H   -3.754400     -0.9462000      -2.060200    
 H   -3.063100      0.6676000      -2.263700    
 H  -0.2987000      0.5563000       2.475500    
 H   -1.705900       1.148800       1.623100    
 H   -5.630700     -0.9495000       1.605500    
 H   -4.950900      0.6671000       1.430900    
 H   -4.889600       1.711100      -1.045300    
 H   -5.533300      0.7207000      -2.352800    
 H   0.3586000       2.561600       1.351000    
 H  -0.3008000       2.026100     -0.2025000    
 H   -7.042300       1.586800      0.3090000    
 H   -7.762100      0.6979000      -1.044300    
 H   -7.801700      9.9999998E-03  0.5862000    
 H    3.170800       3.374400       1.088600    
 H    3.582900       3.328400     -0.6598000    
 H    1.899400       3.567100     -0.1651000    
 H    3.432400      -2.702100     -0.1856000    
 H    5.412700       1.872900     -0.5560000    
 H    5.819000      -2.402200     -0.7588000    
 H    6.798900     -0.1449000     -0.9436000    


%chk=000037468-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037468

0 1
O 0.840821 -2.602168 0.701774
N -2.931725 -0.217000 -0.167925
N 2.616125 1.692843 0.048868
C -0.748690 -0.759096 1.019314
C -1.571205 -0.791511 -0.306923
C -5.878099 -0.032480 -0.495988
C -3.837538 -1.077542 0.636796
C -3.532088 0.100674 -1.490181
C -0.690088 0.654315 1.650456
C -5.208176 -0.404167 0.849068
C -4.887343 0.816531 -1.329641
C 0.151138 1.663048 0.821538
C 1.455880 1.024107 0.438572
C 0.650692 -1.341688 0.722331
C 1.690086 -0.367404 0.411667
C 3.068323 -0.568361 -0.007437
C -7.224461 0.691411 -0.287664
C 3.624347 0.736573 -0.228100
C 2.807760 3.139729 -0.069027
C 3.874868 -1.712059 -0.220697
C 4.955340 0.933071 -0.648465
C 5.208485 -1.524935 -0.643366
C 5.742717 -0.221547 -0.853844
H -1.218688 -1.455393 1.739473
H -1.595639 -1.849475 -0.667711
H -1.036362 -0.203029 -1.077978
H -6.067035 -0.976673 -1.053091
H -3.365519 -1.274524 1.616210
H -3.984543 -2.072367 0.138173
H -3.680580 -0.829852 -2.100677
H -2.824043 0.744918 -2.045755
H -0.251663 0.574846 2.663962
H -1.721316 1.038462 1.746528
H -5.863454 -1.084411 1.428179
H -5.069650 0.516480 1.450968
H -4.723551 1.787298 -0.820152
H -5.311843 1.030359 -2.330518
H 0.306476 2.586783 1.412174
H -0.414199 1.962705 -0.085507
H -7.077615 1.639600 0.264831
H -7.704200 0.935119 -1.254336
H -7.930045 0.068553 0.293909
H 3.579586 3.494380 0.638891
H 3.122056 3.406384 -1.094573
H 1.863774 3.660651 0.150684
H 3.456659 -2.708607 -0.054599
H 5.372476 1.932615 -0.811987
H 5.849368 -2.397194 -0.813529
H 6.782683 -0.111972 -1.181297


