%chk=000131753.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131753

0 1
 O  -0.6648000       3.222600      0.1270000    
 O    1.791100      8.5000005E-03  -2.300600    
 O    3.922000      -1.155800       1.947200    
 N  -0.9118000      0.8821000     -0.2358000    
 N  -0.1127000     -9.7000003E-02 -0.8749000    
 C   0.8582000       1.983000      -1.274300    
 C  -0.3124000       2.146800     -0.3336000    
 C   0.9211000      0.5103000      -1.604300    
 C    2.146900       2.464900     -0.6330000    
 C   -2.293500      0.7106000      8.0799997E-02
 C  -7.0100002E-02  -1.472600     -0.4938000    
 C    2.451500       1.702000      0.6239000    
 C    3.537000      0.9499000      0.8895000    
 C   -2.949100       1.645200      0.8854000    
 C   0.6067000      -2.400100      -1.289500    
 C   -2.994500     -0.3916000     -0.4133000    
 C  -0.7044000      -1.896400      0.6765000    
 C    3.791700      0.2385000       2.190700    
 C   -4.299000       1.478200       1.194600    
 C   0.6487000      -3.743600     -0.9172000    
 C   -4.344400     -0.5585000     -0.1042000    
 C  -0.6621000      -3.240100       1.048600    
 C    4.626000      0.8004000     -0.1413000    
 C   -4.996600      0.3764000      0.6998000    
 C   1.4500000E-02  -4.163600      0.2518000    
 H   0.6401000       2.533800      -2.196000    
 H    2.058300       3.526300     -0.3702000    
 H    2.950400       2.397300      -1.370900    
 H    1.716600       1.800700       1.421900    
 H   -2.445500       2.491900       1.336600    
 H    1.073500      -2.140300      -2.232200    
 H   -2.561300      -1.103800      -1.107600    
 H   -1.170900      -1.212400       1.377100    
 H    2.967900      0.3874000       2.896400    
 H    4.713100      0.6068000       2.653500    
 H   -4.805000       2.200100       1.829100    
 H    1.166400      -4.465300      -1.542400    
 H   -4.892800      -1.406600     -0.5038000    
 H   -1.140000      -3.564700       1.968500    
 H    4.394500     -2.3800001E-02 -0.8231000    
 H    5.583500      0.5743000      0.3422000    
 H    4.799000       1.712300     -0.7185000    
 H   -6.048000      0.2472000      0.9391000    
 H   4.8799999E-02  -5.209400      0.5427000    
 H    4.093500      -1.580500       2.804900    


%chk=000131753-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131753

0 1
O -0.624818 3.288108 -0.160502
O 1.949559 -0.013493 -2.621956
O 2.249566 -0.392781 2.818804
N -0.689219 0.933692 -0.438001
N 0.050403 -0.047344 -1.212248
C 1.050153 2.073120 -1.571037
C -0.156837 2.223544 -0.642715
C 1.097949 0.582807 -1.914304
C 2.392359 2.544867 -0.907483
C -1.983278 0.629524 0.098911
C 0.061815 -1.439791 -0.834133
C 2.487434 2.137503 0.550829
C 3.131584 1.056556 1.077791
C -2.414105 1.319832 1.259570
C 0.009420 -2.412619 -1.858804
C -2.832108 -0.316624 -0.529329
C 0.184163 -1.814904 0.525191
C 3.064612 0.829946 2.575431
C -3.699389 1.063597 1.781160
C 0.066192 -3.780957 -1.516333
C -4.107743 -0.573956 0.015096
C 0.217645 -3.186868 0.853224
C 3.913874 0.018947 0.299353
C -4.549790 0.114215 1.168560
C 0.156164 -4.172292 -0.160251
H 0.877384 2.670127 -2.485480
H 2.426838 3.646889 -0.979631
H 3.220384 2.138186 -1.514603
H 1.933857 2.790420 1.242406
H -1.755892 2.054513 1.727991
H -0.057656 -2.095209 -2.903414
H -2.501780 -0.842531 -1.429040
H 0.292977 -1.055537 1.306188
H 2.597784 1.699407 3.080446
H 4.087536 0.679709 2.984488
H -4.032417 1.604270 2.673729
H 0.034723 -4.537920 -2.307378
H -4.758731 -1.309893 -0.469293
H 0.310248 -3.483561 1.903458
H 3.511697 -0.987550 0.518257
H 4.977011 0.016650 0.613175
H 3.870822 0.168075 -0.790719
H -5.543071 -0.086936 1.583947
H 0.188180 -5.235171 0.103530
H 2.436603 -0.727164 3.732420


