%chk=000020383.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020383

0 1
 O   -5.627500     -0.5567000     -4.8000000E-02
 O   -5.790700       1.724900     -0.3059000    
 N    2.452900      -1.806200     -4.8000000E-02
 N    4.497900     -0.6168000      9.6699998E-02
 N    4.531300       1.780200     -0.1489000    
 N    1.060800      0.5832000     -0.4797000    
 N    2.519500       2.971500     -0.5374000    
 N   0.4835000      0.7048000      0.6261000    
 N    6.510900      0.5808000      0.2358000    
 C    2.495800      -2.637400       1.134500    
 C    1.694400      -2.240900      -1.199800    
 C    3.161300     -0.5794000     -8.2699999E-02
 C    2.454300      0.5827000     -0.2965000    
 C    1.965900      -1.871000       2.331200    
 C    2.574600      -3.056400      -2.127300    
 C    3.193400       1.744100     -0.3209000    
 C    5.110900      0.5815000      5.2400000E-02
 C  -0.9032000      0.7056000      0.4443000    
 C   -3.669000      0.7077000      7.9800002E-02
 C   -1.577700       1.907700      0.2302000    
 C   -1.611700     -0.4956000      0.4760000    
 C   -2.960700       1.908700      4.8099998E-02
 C   -2.994700     -0.4945000      0.2937000    
 C   -5.110800      0.7087000     -0.1103000    
 C   -7.042500     -0.6872000     -0.2224000    
 C   -7.419100      -2.149900     -0.1211000    
 H    1.900800      -3.548400       1.000200    
 H    3.524700      -2.963700       1.327300    
 H   0.8397000      -2.851200     -0.8835000    
 H    1.271600      -1.415800      -1.780000    
 H    1.990100      -2.509500       3.220600    
 H   0.9285000      -1.561800       2.177000    
 H    2.561300     -0.9799000       2.553500    
 H    3.414300      -2.461800      -2.502500    
 H    2.987100      -3.931600      -1.614100    
 H    1.997500      -3.408800      -2.988000    
 H    1.651700       2.957700      -1.059100    
 H    3.084300       3.811300     -0.5608000    
 H   -1.034200       2.848600      0.2042000    
 H   -1.095900      -1.438000      0.6402000    
 H   -3.466600       2.856300     -0.1171000    
 H   -3.504500      -1.453300      0.3258000    
 H    7.015900       1.455800      0.2103000    
 H    6.991400     -0.2949000      0.3896000    
 H   -7.324900     -0.2980000      -1.206800    
 H   -7.558900     -0.1156000      0.5566000    
 H   -8.496300      -2.286400     -0.2499000    
 H   -6.894400      -2.736400     -0.8826000    
 H   -7.124700      -2.556900      0.8519000    


%chk=000020383-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020383

0 1
O -6.136046 0.144333 -0.664512
O -6.207876 -0.317085 1.620916
N 3.142468 -1.659619 0.883090
N 4.559889 0.014051 0.116541
N 4.003759 1.509423 -1.739873
N 0.842269 0.159484 -0.558894
N 1.815413 1.641059 -2.526045
N 0.211510 -0.340110 0.497248
N 6.114087 1.518676 -0.751527
C 4.295754 -2.135567 1.701493
C 1.996727 -2.591172 0.754288
C 3.282966 -0.502953 0.146721
C 2.222696 0.153867 -0.633643
C 4.313706 -1.487209 3.100782
C 2.023905 -3.388601 -0.568236
C 2.711944 1.099201 -1.648124
C 4.842974 0.995867 -0.779597
C -1.212420 -0.253522 0.413174
C -4.052735 -0.167852 0.483713
C -1.912169 -0.490106 1.630766
C -1.955261 0.007457 -0.776738
C -3.314570 -0.441355 1.667179
C -3.357653 0.052317 -0.738163
C -5.535306 -0.130431 0.573198
C -7.626543 0.205440 -0.657347
C -8.063398 0.491959 -2.090521
H 4.207956 -3.233551 1.782434
H 5.228428 -1.894281 1.168252
H 2.043726 -3.280801 1.615405
H 1.060087 -2.004991 0.841436
H 5.155030 -1.887825 3.696242
H 3.374804 -1.685742 3.648097
H 4.441245 -0.395243 3.010063
H 1.937929 -2.714489 -1.438705
H 2.956586 -3.973194 -0.673240
H 1.170112 -4.090096 -0.596877
H 0.831122 1.407114 -2.394260
H 2.135520 2.344737 -3.186875
H -1.326481 -0.696768 2.532415
H -1.413733 0.157594 -1.715315
H -3.864470 -0.611441 2.598471
H -3.935855 0.248651 -1.645722
H 6.360401 2.247339 -1.415905
H 6.784978 1.160706 -0.077548
H -7.939734 0.997059 0.047678
H -8.014182 -0.758540 -0.280257
H -9.166151 0.549664 -2.141107
H -7.649087 1.451439 -2.445021
H -7.726019 -0.307091 -2.772849


