%chk=000023500.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023500

0 1
 O   9.4200000E-02   1.927700      -2.025000    
 N  -0.8013000      -2.468200     -2.1000000E-02
 N   0.4624000       2.416100      0.2312000    
 C   0.8404000     -0.7781000     -0.5583000    
 C    2.258400     -0.3664000     -0.8436000    
 C    3.198300     -0.5979000      0.3397000    
 C    3.651800      -2.048600      0.4978000    
 C    2.538600      -3.035800      0.8467000    
 C    1.496700      -3.203800     -0.2577000    
 C   0.4794000      -2.094100     -0.2832000    
 C  -0.1821000      0.1744000     -0.5652000    
 C   -1.507800     -0.1896000     -0.2989000    
 C   -1.775900      -1.541800     -2.7000001E-02
 C   0.1315000       1.578600     -0.8428000    
 C   -2.548700      0.7551000     -0.2987000    
 C   -3.092000      -1.909800      0.2397000    
 C   0.7942000       3.811400     -2.0800000E-02
 C   0.5050000       1.998400       1.631000    
 C   -3.856700      0.3622000     -2.9500000E-02
 C   -4.128300     -0.9730000      0.2405000    
 C    2.278200       3.993800     -0.2630000    
 C  -0.8364000       2.189500       2.308000    
 H    2.613800     -0.9120000      -1.727400    
 H    2.337200      0.6883000      -1.122100    
 H    4.099300      8.2000000E-03  0.1788000    
 H    2.749900     -0.2443000       1.274900    
 H    4.160400      -2.376500     -0.4174000    
 H    4.403300      -2.085900       1.296400    
 H    2.061200      -2.745400       1.790900    
 H    3.009400      -4.011800       1.020000    
 H   0.9697000      -4.151600     -8.6900003E-02
 H    1.971600      -3.294800      -1.241800    
 H   -2.375400       1.807000     -0.5107000    
 H   0.2461000       4.153200     -0.9061000    
 H   0.4602000       4.425400      0.8226000    
 H   0.7955000      0.9487000       1.710100    
 H    1.276900       2.579500       2.147900    
 H   -3.330000      -2.950200      0.4537000    
 H   -4.658600       1.094000     -3.1199999E-02
 H   -5.145300      -1.290000      0.4518000    
 H    2.865300       3.673900      0.6040000    
 H    2.613000       3.407000      -1.124800    
 H    2.505900       5.046200     -0.4587000    
 H   -1.261700       3.176700       2.101700    
 H   -1.563400       1.435400       2.011600    
 H  -0.7170000       2.095200       3.392800    


%chk=000023500-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023500

0 1
O 0.151108 2.048701 -2.034856
N -0.798086 -2.564791 -0.070502
N 0.415556 2.484585 0.238397
C 0.843544 -0.792239 -0.554478
C 2.294729 -0.425917 -0.821814
C 3.258669 -0.677007 0.376387
C 3.707271 -2.147542 0.541270
C 2.573505 -3.161332 0.819641
C 1.513776 -3.278787 -0.314147
C 0.470554 -2.173469 -0.316524
C -0.166648 0.184467 -0.515307
C -1.535182 -0.203198 -0.283782
C -1.802451 -1.606174 -0.057783
C 0.146577 1.636886 -0.827485
C -2.631215 0.720221 -0.281320
C -3.145945 -2.037656 0.178449
C 0.748419 3.899118 -0.064533
C 0.460834 2.059468 1.657364
C -3.935407 0.272313 -0.054655
C -4.195284 -1.114944 0.182154
C 2.258228 4.108178 -0.310678
C -0.762496 2.519868 2.480227
H 2.666147 -1.001080 -1.694742
H 2.350809 0.637038 -1.115208
H 4.163009 -0.054588 0.225754
H 2.783883 -0.320600 1.313227
H 4.240202 -2.457900 -0.382276
H 4.449158 -2.205436 1.363171
H 2.061878 -2.911108 1.770419
H 3.030660 -4.159956 0.964074
H 0.960474 -4.227234 -0.208426
H 2.041019 -3.308579 -1.290786
H -2.440044 1.780296 -0.483576
H 0.184595 4.189501 -0.967291
H 0.400360 4.521429 0.779872
H 0.535558 0.959994 1.691484
H 1.389985 2.463719 2.106700
H -3.311917 -3.106441 0.345105
H -4.768064 0.984360 -0.065642
H -5.223083 -1.451111 0.358181
H 2.860448 3.784413 0.558239
H 2.580732 3.536859 -1.197759
H 2.471332 5.177252 -0.493699
H -0.874498 3.619218 2.466800
H -1.689307 2.069567 2.086480
H -0.646191 2.205940 3.533875


