%chk=000013787.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013787

0 1
 O   -5.769700     -0.1042000     -0.8425000    
 O   -1.182800     -2.0900000E-02   1.614900    
 N   -3.458200      0.9931000      0.4043000    
 C    1.445000      0.3347000      0.6147000    
 C   -2.225500       1.777900      0.3864000    
 C   0.2836000       1.260600      0.1821000    
 C   -3.365300     -0.1456000     -0.5201000    
 C   -4.614800       1.830300      5.7000000E-02
 C   -1.061800      0.8989000      0.8070000    
 C   -4.666800     -0.9419000     -0.4938000    
 C   -5.886700      0.9872000      7.0900001E-02
 C    1.241300      -1.127900      0.2333000    
 C    2.805800      0.8408000      0.1469000    
 C    1.796700      -2.105300       1.031100    
 C    3.918500      0.5509000      0.9068000    
 C   0.5085000      -1.423900     -0.8959000    
 C    2.877200       1.570600      -1.020100    
 C    1.610500      -3.443100      0.6827000    
 C    5.163000       1.013500      0.4792000    
 C   0.3221000      -2.761600      -1.244300    
 C    4.121800       2.032900      -1.447800    
 C   0.8731000      -3.771200     -0.4549000    
 C    5.264600       1.754300     -0.6981000    
 H    1.447800      0.3820000       1.715400    
 H   -2.275600       2.608800       1.099000    
 H   -2.032800       2.187300     -0.6123000    
 H   0.5035000       2.286200      0.5082000    
 H   0.1334000       1.293100     -0.9011000    
 H   -2.559900     -0.8375000     -0.2591000    
 H   -3.181500      0.2116000      -1.542200    
 H   -4.480400       2.271000     -0.9395000    
 H   -4.722100       2.648200      0.7786000    
 H   -4.622200      -1.753400      -1.227200    
 H   -4.845700      -1.393200      0.4898000    
 H   -6.106700      0.6029000       1.074400    
 H   -6.740300       1.595300     -0.2451000    
 H    2.360500      -1.866500       1.926900    
 H    3.854000     -1.2100000E-02   1.832100    
 H   8.3200000E-02 -0.6742000      -1.551500    
 H    2.020700       1.791500      -1.645100    
 H    2.036800      -4.229300       1.298900    
 H    6.052600      0.7992000       1.064400    
 H  -0.2479000      -3.017500      -2.132700    
 H    4.202500       2.605700      -2.367200    
 H   0.7283000      -4.812800     -0.7265000    
 H    6.233700       2.114000      -1.031400    


%chk=000013787-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013787

0 1
O -6.243655 -0.136317 0.469243
O -1.122169 0.528016 1.805930
N -3.525776 0.860047 0.226021
C 1.493972 0.367847 0.479567
C -2.193225 1.035191 -0.353776
C 0.347448 1.318892 0.027657
C -3.796547 -0.525949 0.697018
C -4.602483 1.322726 -0.688013
C -1.012721 0.918562 0.614946
C -5.171475 -0.584597 1.377749
C -5.962374 1.237311 0.024500
C 1.319094 -1.013576 -0.178150
C 2.893266 0.948138 0.239544
C 0.667744 -2.061044 0.522360
C 3.991024 0.392537 0.948924
C 1.761827 -1.254473 -1.504790
C 3.151016 1.997613 -0.678094
C 0.460294 -3.319217 -0.088794
C 5.303394 0.870910 0.752864
C 1.553281 -2.509512 -2.118114
C 4.465435 2.481107 -0.878987
C 0.900385 -3.547667 -1.412452
C 5.547128 1.920230 -0.165339
H 1.360957 0.233972 1.571000
H -2.130114 2.040074 -0.820471
H -1.968708 0.308738 -1.186506
H 0.559444 2.345273 0.394849
H 0.281544 1.370175 -1.075340
H -3.016360 -0.810154 1.421898
H -3.776424 -1.249118 -0.157691
H -4.643940 0.707974 -1.623193
H -4.406814 2.373801 -0.976396
H -5.433351 -1.619672 1.652065
H -5.162063 0.053486 2.286985
H -5.964294 1.923344 0.898972
H -6.785849 1.503191 -0.659111
H 0.320587 -1.885237 1.547579
H 3.809766 -0.424997 1.657731
H 2.292826 -0.464406 -2.049316
H 2.328369 2.451451 -1.241726
H -0.040765 -4.118895 0.468649
H 6.134467 0.429654 1.314674
H 1.906919 -2.681881 -3.141222
H 4.642411 3.295047 -1.591469
H 0.743319 -4.523265 -1.886149
H 6.565187 2.295068 -0.319024


