%chk=000003147.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003147

1 1
 O   -3.793000      -1.070100     -3.2499999E-02
 O    3.699900     -0.9384000      7.4199997E-02
 N   -4.821700      0.9544000     -0.1090000    
 N    4.926800       1.008200      9.8499998E-02
 C   -5.797300     -1.8500000E-02 -0.1302000    
 C    5.803000     -6.6900000E-02  0.1103000    
 C   -5.022900       2.373400     -0.1391000    
 C    5.372400       2.379000      0.1118000    
 C   -3.703700      0.2856000     -5.3199999E-02
 C    3.644600      0.4769000      7.7100001E-02
 C   -5.163500      -1.262000     -8.3099999E-02
 C    5.048200      -1.248700      9.5100001E-02
 C   -7.185600      7.8800000E-02 -0.1864000    
 C    7.180500     -0.1305000      0.1328000    
 C   -5.849900      -2.469000     -8.8600002E-02
 C    5.609100      -2.505700      0.1013000    
 C   -5.153300       2.942500       1.260900    
 C    5.597100       2.890800      -1.274000    
 C   -2.437400      0.9555000     -1.5000000E-02
 C    2.459000       1.096300      6.0800001E-02
 C   -7.899800      -1.128000     -0.1930000    
 C    7.780100      -1.396200      0.1394000    
 C   -7.246800      -2.370400     -0.1452000    
 C    7.002400      -2.570900      0.1238000    
 C   -1.255400      0.3182000      1.2000001E-03
 C    1.196400      0.3939000      3.9299998E-02
 C   1.0800000E-02   1.021900      2.3000000E-02
 H   -5.938900       2.590600     -0.7015000    
 H   -4.224300       2.875900     -0.6932000    
 H    4.623200       3.007900      0.6080000    
 H    6.284000       2.493700      0.7106000    
 H   -7.706800       1.028600     -0.2210000    
 H    7.798300      0.7604000      0.1420000    
 H   -5.342700      -3.424900     -5.1500000E-02
 H    5.003600      -3.403500      8.9299999E-02
 H   -4.244900       2.765800       1.845100    
 H   -5.988400       2.479700       1.796700    
 H   -5.329300       4.021700       1.219400    
 H    6.371100       2.317700      -1.795700    
 H    4.683300       2.832900      -1.875400    
 H    5.916100       3.937700      -1.250500    
 H   -2.423900       2.040900      9.1000004E-03
 H    2.422200       2.182400      6.1099999E-02
 H   -8.986300      -1.101200     -0.2354000    
 H    8.864200      -1.475500      0.1560000    
 H   -7.841500      -3.281200     -0.1521000    
 H    7.496800      -3.538800      0.1293000    
 H   -1.214600     -0.7682000     -1.4500000E-02
 H    1.220100     -0.6932000      3.6100000E-02
 H  -2.6900001E-02   2.109100      2.6500000E-02


%chk=000003147-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003147

1 1
O -3.721218 -0.842643 -0.080295
O 3.741759 -0.948750 0.074239
N -4.966087 1.054566 -0.141349
N 5.039147 0.912952 0.136760
C -5.879371 -0.031575 -0.136978
C 5.921676 -0.198110 0.129445
C -5.339406 2.486427 -0.124706
C 5.452222 2.333771 0.121110
C -3.673290 0.560792 -0.092682
C 3.732992 0.455572 0.088945
C -5.099305 -1.211103 -0.107756
C 5.109068 -1.355433 0.099226
C -7.283641 -0.097642 -0.165397
C 7.323566 -0.303216 0.155689
C -5.640541 -2.496226 -0.107786
C 5.614552 -2.655075 0.096184
C -5.467098 3.049955 1.305183
C 5.595159 2.894171 -1.308587
C -2.457149 1.257850 -0.060990
C 2.536840 1.186447 0.059542
C -7.856917 -1.392820 -0.166187
C 7.860786 -1.613785 0.153365
C -7.057173 -2.565799 -0.138416
C 7.028776 -2.764086 0.124643
C -1.203182 0.611923 -0.032205
C 1.265042 0.576509 0.029890
C 0.040672 1.275655 -0.000297
H -6.293887 2.581079 -0.670499
H -4.584172 3.044761 -0.704875
H 4.713126 2.912536 0.701985
H 6.409169 2.401537 0.666601
H -7.912528 0.796783 -0.183685
H 7.977231 0.573275 0.174630
H -5.013193 -3.390196 -0.086109
H 4.962589 -3.531246 0.073741
H -4.511973 2.976057 1.853302
H -6.238529 2.511045 1.881372
H -5.755738 4.114421 1.259449
H 6.351100 2.334036 -1.885069
H 4.638180 2.846865 -1.856360
H 5.913320 3.950170 -1.262635
H -2.504475 2.351362 -0.056003
H 2.614653 2.278238 0.057084
H -8.946486 -1.490972 -0.187507
H 8.947252 -1.742048 0.172930
H -7.541958 -3.546404 -0.139720
H 7.486020 -3.757830 0.123430
H -1.198280 -0.487572 -0.033821
H 1.228675 -0.522392 0.028885
H 0.056422 2.374765 0.000883


