%chk=000115951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115951

0 1
 O   -1.738600       2.220300     -3.4299999E-02
 O   -5.556100      -1.718100     -0.5929000    
 N  -0.2184000      0.2595000       1.081500    
 N    2.497400     -0.1933000      0.3208000    
 C   9.7999997E-02 -0.5817000     -7.9000004E-02
 C   0.8242000      0.1116000       2.104600    
 C    1.441400     -0.1853000     -0.6962000    
 C    2.191200      0.5323000       1.560100    
 C   -1.527900     -9.2900001E-02   1.629200    
 C    3.837400     -0.2898000     -7.0699997E-02
 C   -2.627200      9.1700003E-02  0.6171000    
 C    4.202200     -0.9768000      -1.245600    
 C    4.862200      0.2978000      0.6977000    
 C   -2.675500       1.239300     -0.1629000    
 C   -3.586400     -0.9035000      0.4814000    
 C   -4.612200     -0.7478000     -0.4510000    
 C   -3.701200       1.394900      -1.095200    
 C    5.537800      -1.072500      -1.636600    
 C    6.197700      0.2023000      0.3067000    
 C   -4.669700      0.4014000      -1.239300    
 C    6.535500     -0.4829000     -0.8604000    
 C   -1.874100       3.360400     -0.8802000    
 C   -5.437500      -2.866900      0.2448000    
 H  -0.6467000     -0.4944000     -0.8769000    
 H   0.1315000      -1.640900      0.2124000    
 H   0.8737000     -0.9268000       2.460000    
 H   0.5913000      0.7421000       2.971500    
 H    1.618900     -0.8908000      -1.511100    
 H    1.373400      0.8164000      -1.139900    
 H    2.217000       1.614300       1.379600    
 H    2.896700      0.2915000       2.362900    
 H   -1.762400      0.5534000       2.485300    
 H   -1.518200      -1.125100       2.004600    
 H    3.476600      -1.482400      -1.873600    
 H    4.672400      0.8696000       1.600100    
 H   -3.496500      -1.775700       1.119600    
 H   -3.810300       2.258900      -1.741600    
 H    5.802500      -1.611700      -2.541500    
 H    6.975000      0.6662000      0.9070000    
 H   -5.466700      0.5270000      -1.967200    
 H    7.575400     -0.5575000      -1.164700    
 H   -2.799500       3.909000     -0.6741000    
 H   -1.772900       3.092900      -1.937500    
 H   -1.045500       4.036100     -0.6438000    
 H   -6.270200      -3.533800     -2.0000001E-03
 H   -5.541300      -2.605900       1.303600    
 H   -4.514500      -3.420400      4.1099999E-02


%chk=000115951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115951

0 1
O -2.410247 2.763488 0.527934
O -5.119194 -1.910419 -1.104705
N -0.166892 0.383545 0.925219
N 2.581294 -0.299936 0.305801
C 0.152615 -0.853740 0.182528
C 0.929118 0.710398 1.863151
C 1.468153 -0.685345 -0.593814
C 2.264094 0.891261 1.117235
C -1.491946 0.338171 1.603758
C 3.922608 -0.559219 -0.070799
C -2.654459 0.378898 0.626390
C 4.269731 -1.751131 -0.781730
C 4.986881 0.330079 0.276618
C -3.089315 1.616351 0.074970
C -3.326925 -0.808069 0.252557
C -4.399142 -0.778527 -0.673177
C -4.160433 1.647233 -0.853107
C 5.607808 -2.036235 -1.114648
C 6.324955 0.027433 -0.054431
C -4.809047 0.454023 -1.227808
C 6.654547 -1.154756 -0.753246
C -2.827988 4.053334 -0.019298
C -4.726827 -3.205039 -0.550318
H -0.661412 -1.060794 -0.534623
H 0.242661 -1.733660 0.874021
H 1.061377 -0.088843 2.638981
H 0.682051 1.654686 2.382713
H 1.704799 -1.630826 -1.104712
H 1.320510 0.096271 -1.373632
H 2.205921 1.806930 0.484136
H 3.056389 1.039757 1.870913
H -1.544920 1.222524 2.263515
H -1.584574 -0.574499 2.247705
H 3.496914 -2.477004 -1.053361
H 4.776498 1.274788 0.785845
H -2.997905 -1.751229 0.702370
H -4.501736 2.591846 -1.286424
H 5.834988 -2.964023 -1.653263
H 7.114088 0.734863 0.227404
H -5.637489 0.461853 -1.942481
H 7.693615 -1.382756 -1.012261
H -3.885592 4.276353 0.225917
H -2.688511 4.090532 -1.117543
H -2.172893 4.795523 0.460579
H -5.405336 -3.936286 -1.014083
H -4.850502 -3.229863 0.550692
H -3.678429 -3.455942 -0.808086


