%chk=000001761.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001761

0 1
 O  -0.7838000     -0.4926000       1.215700    
 O   -1.608200     -3.3900000E-02  -1.647700    
 O  -0.2750000      -3.173300     -0.5568000    
 O   -2.726600       1.230300       1.323100    
 N   -4.253300     -0.1894000      0.2875000    
 N    1.337000     -7.5400002E-02  0.2321000    
 N    2.219100       1.915800     -0.2507000    
 N    3.367600      -1.398000      0.4044000    
 N    5.351200     -3.5900000E-02 -3.3000000E-03
 N    5.224700       2.301300     -0.5016000    
 C   -5.409800      0.6736000      0.3650000    
 C   -5.643800       1.717300     -0.6712000    
 C   -6.535500      0.5127000     -0.5968000    
 C   -1.996900     -0.9154000      0.5911000    
 C   -1.651700      -1.217400     -0.8588000    
 C  -0.2399000      -1.760800     -0.7480000    
 C   0.3191000      -1.091100      0.5107000    
 C   -3.008100      0.1674000      0.7760000    
 C    2.691000     -0.2586000      0.1954000    
 C    1.104000       1.247000     -4.2800002E-02
 C    3.218700      0.9870000     -0.1048000    
 C    4.603800       1.076400     -0.2022000    
 C    4.696300      -1.187000      0.2835000    
 H   -5.676100      0.9177000       1.388200    
 H   -4.957000       1.783700      -1.506200    
 H   -6.051200       2.667800     -0.3495000    
 H   -7.543300      0.6538000     -0.2261000    
 H   -6.447200     -0.2267000      -1.383300    
 H   -2.330600      -1.821800       1.110900    
 H   -2.356200      -1.917900      -1.318600    
 H   0.3728000      -1.564000      -1.634600    
 H   0.7801000      -1.817900       1.189900    
 H   -4.385000      -1.105600     -0.1331000    
 H   -2.522800      0.2744000      -1.765500    
 H  -0.6749000      -3.564300      -1.352300    
 H   0.1094000       1.669800     -8.0600001E-02
 H    5.325900      -2.057100      0.4365000    
 H    4.669100       3.132800     -0.6503000    
 H    6.232700       2.340900     -0.5668000    


%chk=000001761-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001761

0 1
O -1.239022 -1.627284 -0.103200
O -1.320294 -0.344160 -3.191198
O -0.144549 -3.616654 -2.245492
O -3.823239 0.047626 -2.089376
N -3.132304 0.254324 0.139799
N 0.869654 -0.467793 -0.497989
N 1.573020 1.710446 -0.697112
N 2.289039 -1.175197 1.418832
N 3.736775 0.647048 2.217403
N 3.748876 2.800936 1.242625
C -3.900013 1.448638 0.426007
C -5.318129 1.326957 1.004622
C -4.155411 1.815856 1.885770
C -2.243704 -1.596271 -1.202504
C -1.465993 -1.648995 -2.554662
C -0.066494 -2.157573 -2.148135
C 0.123941 -1.716715 -0.667688
C -3.140243 -0.350749 -1.084041
C 1.831597 -0.271102 0.507634
C 0.756826 0.761431 -1.187845
C 2.251715 1.075547 0.364249
C 3.252396 1.525980 1.274686
C 3.240641 -0.627942 2.236068
H -3.731969 2.258351 -0.290991
H -5.698930 0.317717 1.182216
H -6.065475 2.048664 0.665785
H -4.108398 2.872396 2.161092
H -3.788294 1.132713 2.658784
H -2.869284 -2.501346 -1.093035
H -1.927187 -2.376142 -3.246209
H 0.715649 -1.738037 -2.807763
H 0.662828 -2.467949 -0.063198
H -2.457784 -0.110348 0.822185
H -2.244961 0.025067 -3.297712
H 0.730218 -4.018603 -2.013688
H 0.074088 0.867372 -2.030690
H 3.659419 -1.288836 3.000658
H 3.404658 3.461483 0.549016
H 4.465934 3.068744 1.913496


