%chk=000022267.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022267

0 1
 O  -0.6461000      0.7684000      -2.442000    
 N    2.780000      0.5835000      0.5632000    
 C  -0.3242000      0.3056000     -4.5100000E-02
 C   0.4024000       1.111300       1.098000    
 C    1.819800       1.663400      0.7976000    
 C   -1.776700     -0.1133000      0.3500000    
 C   0.5293000     -0.9616000     -0.3341000    
 C  -0.5306000       1.230400      -1.303400    
 C    2.322200       2.507300       1.972600    
 C  -0.7159000       2.729800      -1.069400    
 C   -2.493600     -0.8250000     -0.5619000    
 C   0.2146000      -2.105300      0.3400000    
 C   -2.225000      0.2627000       1.578600    
 C    1.540100     -0.8514000      -1.243600    
 C    2.902400     -0.2568000       1.753200    
 C    4.082000       1.131700      0.1870000    
 C   -1.576500       3.384100      -2.138100    
 C   -3.790500      -1.198600     -0.2094000    
 C   0.9806000      -3.242000      8.1100002E-02
 C   -3.521800     -0.1109000       1.931100    
 C    2.305900      -1.988100      -1.502600    
 C   -4.304500     -0.8416000       1.037200    
 C    2.026200      -3.183400     -0.8402000    
 H   0.4240000      0.5152000       2.018200    
 H  -0.1935000       1.988900       1.376500    
 H    1.788100       2.297600     -8.9800000E-02
 H    2.305600       1.985900       2.934600    
 H    3.309500       2.950200       1.819800    
 H    1.646000       3.363700       2.097400    
 H   -1.232800       2.893500     -0.1213000    
 H   0.2542000       3.226700      -1.049600    
 H   -2.110100      -1.121900      -1.531300    
 H  -0.5586000      -2.183700       1.094800    
 H   -1.673500      0.8250000       2.318000    
 H    1.764800      5.6800000E-02  -1.792500    
 H    1.976100     -0.7058000       2.112800    
 H    3.399300      0.2334000       2.597400    
 H    3.539500      -1.115200       1.501300    
 H    4.641800       1.581700       1.013100    
 H    3.991000       1.864400     -0.6230000    
 H    4.708000      0.3225000     -0.2083000    
 H   -1.100900       3.316500      -3.122200    
 H   -1.732800       4.442600      -1.908200    
 H   -2.555400       2.897800      -2.205100    
 H   -4.399200      -1.769700     -0.9043000    
 H   0.7699000      -4.170200      0.6043000    
 H   -3.923000      0.1659000       2.901800    
 H    3.117400      -1.943700      -2.223000    
 H   -5.313900      -1.133200       1.312000    
 H    2.623600      -4.067900      -1.040600    


%chk=000022267-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022267

0 1
O -0.164979 0.909823 -2.388067
N 2.924143 0.810933 0.551024
C -0.226356 0.289484 0.018638
C 0.471879 1.031531 1.213031
C 1.840975 1.729734 0.973283
C -1.715512 -0.046606 0.366825
C 0.511142 -1.038868 -0.301991
C -0.388810 1.263692 -1.202138
C 2.189122 2.587333 2.231338
C -0.946534 2.666619 -0.907497
C -2.507523 -0.671967 -0.635151
C 0.226790 -2.175546 0.500940
C -2.317741 0.231258 1.619150
C 1.508445 -1.163350 -1.302360
C 3.328657 -0.223847 1.515014
C 4.068132 1.474844 -0.092877
C -1.449016 3.391051 -2.169408
C -3.857320 -1.000052 -0.396314
C 0.908484 -3.399323 0.314657
C -3.671188 -0.102762 1.863534
C 2.181605 -2.389411 -1.500644
C -4.449290 -0.715247 0.857329
C 1.889621 -3.514171 -0.694852
H 0.567732 0.309998 2.048125
H -0.202706 1.829878 1.576325
H 1.717106 2.435819 0.125957
H 2.216806 1.966072 3.145690
H 3.175594 3.071963 2.115720
H 1.438494 3.384637 2.387565
H -1.753629 2.576955 -0.155623
H -0.147952 3.264686 -0.422454
H -2.052059 -0.909723 -1.603359
H -0.546357 -2.111862 1.275718
H -1.741827 0.697294 2.424161
H 1.760046 -0.307497 -1.928080
H 2.449148 -0.793514 1.859022
H 3.868630 0.172967 2.410104
H 3.997742 -0.942792 1.008064
H 4.724054 2.053060 0.606945
H 3.709020 2.170845 -0.873244
H 4.702634 0.713825 -0.584701
H -0.651339 3.461968 -2.927703
H -1.794685 4.409949 -1.918749
H -2.287966 2.840985 -2.630123
H -4.446325 -1.480390 -1.185707
H 0.665269 -4.258882 0.950035
H -4.112895 0.114422 2.842948
H 2.939090 -2.463921 -2.289645
H -5.497669 -0.971441 1.046564
H 2.414516 -4.463255 -0.854417


