%chk=000002312.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002312

0 1
 O  -0.9736000     -0.3390000     -0.4465000    
 N   -5.122900     -0.9190000      0.1678000    
 C   0.3826000      3.7400000E-02 -0.2206000    
 C   0.5722000      0.5111000       1.233200    
 C   0.7975000       1.116100      -1.235600    
 C  -0.3562000       1.620800       1.720200    
 C  -0.2293000       2.198800      -1.567100    
 C    1.248600      -1.213800     -0.4423000    
 C  -0.3087000       2.911300      0.9075000    
 C   -1.041500       2.792600     -0.4220000    
 C    2.702000     -0.9209000     -0.2081000    
 C   -1.358600      -1.393400      0.4169000    
 C   -2.816600      -1.741500      0.1493000    
 C    3.496500     -0.4920000      -1.265200    
 C    3.239900      -1.081600       1.063600    
 C   -3.733400     -0.5510000      0.4115000    
 C    4.847300     -0.2202000      -1.047700    
 C    4.590700     -0.8096000       1.281200    
 C    5.394300     -0.3790000      0.2255000    
 C   -5.313800      -1.316600      -1.228200    
 C   -6.017100      0.1896000      0.5065000    
 H    1.584600      0.9161000       1.356300    
 H   0.5056000     -0.3159000       1.949200    
 H    1.023400      0.6428000      -2.200300    
 H    1.720200       1.612700     -0.9106000    
 H  -6.6500001E-02   1.863300       2.751100    
 H   -1.387600       1.255400       1.781000    
 H   0.3033000       3.013300      -2.075900    
 H  -0.9345000       1.806800      -2.311900    
 H    1.092500      -1.623600      -1.449700    
 H    1.019300      -2.042900      0.2336000    
 H   0.7224000       3.254400      0.7659000    
 H  -0.8145000       3.686300       1.497500    
 H   -1.964700       2.217300     -0.2876000    
 H   -1.367600       3.793500     -0.7332000    
 H  -0.8274000      -2.324000      0.2106000    
 H   -1.272600      -1.143100       1.476400    
 H   -3.109800      -2.594600      0.7731000    
 H   -2.874000      -2.055500     -0.8985000    
 H    3.093800     -0.3820000      -2.267600    
 H    2.634700      -1.432300       1.894600    
 H   -3.612800     -0.2446000       1.458300    
 H   -3.444200      0.3046000     -0.2110000    
 H    5.474200      0.1105000      -1.870600    
 H    5.017700     -0.9371000       2.271700    
 H    6.446400     -0.1692000      0.3945000    
 H   -4.869500      -2.293700      -1.440300    
 H   -6.381800      -1.442000      -1.445500    
 H   -4.917700     -0.5769000      -1.933500    
 H   -5.829000       1.075700     -0.1107000    
 H   -5.900300      0.4710000       1.559100    
 H   -7.064300     -0.1060000      0.3775000    


%chk=000002312-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002312

0 1
O -0.912396 -0.451462 -0.335109
N -5.274321 -0.845809 -0.036097
C 0.477329 0.006517 -0.042162
C 0.621967 0.557822 1.403052
C 0.759657 1.092187 -1.115445
C -0.374048 1.652045 1.849227
C -0.397683 2.050585 -1.495946
C 1.446504 -1.219069 -0.250165
C -0.407966 2.940705 0.988943
C -1.170781 2.757378 -0.346204
C 2.937810 -0.922788 -0.161485
C -1.487801 -1.492213 0.529883
C -2.919833 -1.751680 0.043133
C 3.694599 -0.606157 -1.320875
C 3.620439 -0.982554 1.083490
C -3.847035 -0.534914 0.232905
C 5.079301 -0.336778 -1.238431
C 5.004498 -0.714306 1.172372
C 5.740578 -0.385572 0.010455
C -5.540441 -1.168352 -1.453637
C -6.162619 0.233303 0.444236
H 1.652630 0.952364 1.493663
H 0.557159 -0.285748 2.121872
H 1.069506 0.584137 -2.050084
H 1.638929 1.673709 -0.779005
H -0.117788 1.920365 2.894659
H -1.400472 1.233330 1.874107
H 0.045634 2.819079 -2.162339
H -1.126911 1.488281 -2.106869
H 1.201192 -1.641496 -1.243246
H 1.195911 -1.987602 0.506646
H 0.623149 3.307940 0.807089
H -0.918651 3.730458 1.576081
H -2.087218 2.176878 -0.122800
H -1.510228 3.747109 -0.712571
H -0.897707 -2.430577 0.463407
H -1.494285 -1.160818 1.591212
H -3.341885 -2.604473 0.610217
H -2.870574 -2.048264 -1.021079
H 3.195903 -0.579266 -2.297312
H 3.063459 -1.252369 1.989412
H -3.776929 -0.202615 1.288569
H -3.477593 0.310305 -0.400989
H 5.642559 -0.096970 -2.147638
H 5.509344 -0.769405 2.143757
H 6.815128 -0.180999 0.075806
H -4.961095 -2.054384 -1.762745
H -6.611804 -1.406888 -1.580226
H -5.286970 -0.327435 -2.150209
H -6.002606 1.209928 -0.082157
H -5.998430 0.398042 1.524365
H -7.217916 -0.061104 0.299668


