%chk=000029100.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029100

0 1
 O  -0.4494000      -1.415500     -0.7078000    
 N   -2.559300      -2.874400      0.4918000    
 C   0.2516000     -0.2149000      -1.002300    
 C  -0.5237000      0.9802000     -0.4879000    
 C    1.678700     -0.2569000     -0.4910000    
 C   -1.735900      -1.430000      -1.312600    
 C   -2.427600      -2.736700     -0.9582000    
 C   -1.053500       1.881600      -1.393900    
 C    2.674800      0.3603000      -1.224900    
 C  -0.6844000       1.142600      0.8765000    
 C    1.948100     -0.9114000      0.6967000    
 C   -1.939900       3.162900      0.4523000    
 C    4.280100     -0.3339000      0.4416000    
 C   -1.767400       2.982100     -0.9198000    
 C    3.987300      0.3212000     -0.7543000    
 C   -1.398500       2.243200       1.350700    
 C    3.260600     -0.9503000       1.167200    
 C   -3.187200      -4.151400      0.8289000    
 C   -3.333600      -1.762800       1.042700    
 C   -2.704100       4.338900      0.9591000    
 C    5.683300     -0.3745000      0.9452000    
 H   0.3200000     -0.1616000      -2.098900    
 H   -2.362000     -0.5772000      -1.038900    
 H   -1.610700      -1.397700      -2.402600    
 H   -3.401700      -2.788400      -1.460800    
 H   -1.813600      -3.564100      -1.335800    
 H  -0.9261000       1.751600      -2.464500    
 H    2.456900      0.8748000      -2.156100    
 H  -0.2941000      0.4326000       1.597000    
 H    1.171900      -1.404800       1.273600    
 H   -2.183000       3.692400      -1.629600    
 H    4.773200      0.8043000      -1.329100    
 H   -1.529500       2.371400       2.421900    
 H    3.476900      -1.466700       2.098700    
 H   -2.593300      -4.987100      0.4423000    
 H   -4.202700      -4.233300      0.4244000    
 H   -3.237300      -4.281600       1.915700    
 H   -3.549200      -1.940000       2.103600    
 H   -4.292500      -1.625700      0.5295000    
 H   -2.779500     -0.8224000       1.024400    
 H   -2.027400       5.182600       1.126800    
 H   -3.477100       4.645200      0.2461000    
 H   -3.212400       4.104000       1.900500    
 H    5.709700     -0.4115000       2.039600    
 H    6.198100      -1.256800      0.5519000    
 H    6.238100      0.5199000      0.6418000    


%chk=000029100-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029100

0 1
O -0.482357 -1.396405 -0.677539
N -2.691018 -2.963300 0.649317
C 0.214872 -0.165592 -1.088216
C -0.518587 1.088212 -0.599170
C 1.643435 -0.260500 -0.546685
C -1.821338 -1.528930 -1.255722
C -2.423607 -2.861321 -0.800986
C -0.954498 2.079797 -1.507772
C 2.595598 0.726180 -0.902338
C -0.788089 1.266361 0.781401
C 2.040329 -1.311246 0.313337
C -1.896860 3.422611 0.330044
C 4.327082 -0.390709 0.448218
C -1.631360 3.233853 -1.049284
C 3.916812 0.661027 -0.412356
C -1.469814 2.412939 1.235280
C 3.364250 -1.368502 0.804025
C -3.041120 -4.342423 1.038626
C -3.662598 -1.974454 1.151485
C -2.595026 4.675293 0.831460
C 5.758740 -0.478324 0.950368
H 0.253451 -0.125662 -2.203261
H -2.457587 -0.668700 -0.963088
H -1.752320 -1.532104 -2.367799
H -3.358602 -3.021470 -1.407902
H -1.717123 -3.668138 -1.072168
H -0.768824 1.949181 -2.582142
H 2.299610 1.558435 -1.553437
H -0.464649 0.494602 1.489344
H 1.304301 -2.072213 0.586288
H -1.961603 3.992566 -1.769611
H 4.638880 1.436491 -0.697424
H -1.672524 2.533984 2.306924
H 3.654850 -2.187710 1.474034
H -2.233956 -5.031287 0.730742
H -3.999239 -4.708800 0.584179
H -3.142399 -4.404911 2.137024
H -3.808762 -2.128804 2.235317
H -4.666169 -2.044808 0.654694
H -3.279151 -0.949409 1.011283
H -1.858818 5.439547 1.148787
H -3.224223 5.131282 0.046967
H -3.237218 4.459845 1.703969
H 5.813188 -0.985748 1.929879
H 6.393543 -1.053231 0.247666
H 6.213196 0.522698 1.057744


