%chk=000155438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155438

0 1
 O   0.4428000      -1.100000      -1.748000    
 N    1.958500      0.4516000      0.8274000    
 N  -0.6452000      0.5151000     -0.4261000    
 C    4.023200     -0.6664000     -0.2914000    
 C    1.821800      0.4635000     -0.6456000    
 C    2.967500     -0.2817000      -1.342000    
 C    4.426200      0.6063000      0.4708000    
 C    3.355400      -1.621800      0.7067000    
 C    3.189300       1.207600       1.160500    
 C    2.128800     -0.9346000       1.325700    
 C   0.4724000     -0.1262000     -0.9924000    
 C  -0.6170000       1.955100     -0.1088000    
 C   -1.877100     -0.1857000     -0.1235000    
 C   -1.915900       2.649800     -0.4772000    
 C   -3.055800       2.041800      0.3152000    
 C   -3.041400      0.5380000      0.2256000    
 C   -1.959600      -1.589600     -0.1234000    
 C   -4.231700     -0.1412000      0.5453000    
 C   -3.152500      -2.252300      0.1853000    
 C   -4.289500      -1.529400      0.5160000    
 H    4.893700      -1.133900     -0.7624000    
 H    1.845900       1.490700      -1.024000    
 H    2.671900      -1.185300      -1.883900    
 H    3.431600      0.3818000      -2.083500    
 H    4.860400       1.336500     -0.2226000    
 H    5.192100      0.3712000       1.219200    
 H    4.066000      -1.901500       1.493500    
 H    3.050000      -2.544500      0.1992000    
 H    3.334000       1.220400       2.248200    
 H    3.071800       2.259300      0.8702000    
 H    1.228000      -1.528100       1.129900    
 H    2.224800     -0.9202000       2.418900    
 H   0.1800000       2.458400     -0.6586000    
 H  -0.4053000       2.058900      0.9622000    
 H   -2.103700       2.536200      -1.552700    
 H   -1.847500       3.723300     -0.2691000    
 H   -4.004400       2.437800     -6.6100001E-02
 H   -2.973300       2.328000       1.371000    
 H   -1.095200      -2.211200     -0.3362000    
 H   -5.122900      0.4179000      0.8215000    
 H   -3.183700      -3.338300      0.1763000    
 H   -5.213300      -2.043800      0.7618000    


%chk=000155438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000155438

0 1
O 0.313291 -1.607638 -0.931169
N 2.228615 0.524205 0.970812
N -0.758519 0.200153 0.105149
C 4.088167 -0.517120 -0.516849
C 1.711336 0.347614 -0.435447
C 2.784047 -0.345173 -1.341237
C 4.556087 0.866226 0.011804
C 3.797218 -1.451005 0.689996
C 3.417319 1.436258 0.932111
C 2.642610 -0.801950 1.536638
C 0.366843 -0.439251 -0.432705
C -0.697893 1.560508 0.706811
C -2.094782 -0.353141 0.027323
C -1.578880 2.521537 -0.111065
C -3.048107 2.066926 0.010952
C -3.206629 0.546146 -0.007887
C -2.327228 -1.756133 0.014350
C -4.514760 0.006162 -0.054041
C -3.640798 -2.262946 -0.034856
C -4.746616 -1.383517 -0.069888
H 4.872397 -0.962277 -1.155877
H 1.513355 1.369092 -0.817307
H 2.403683 -1.329196 -1.667542
H 2.977323 0.261913 -2.245729
H 4.756681 1.545453 -0.838601
H 5.501756 0.757129 0.576074
H 4.713398 -1.577953 1.298246
H 3.496868 -2.450160 0.324803
H 3.767845 1.558844 1.972925
H 3.076275 2.428127 0.579849
H 1.753583 -1.454973 1.562996
H 2.956349 -0.627812 2.581692
H 0.348086 1.876575 0.785729
H -1.082255 1.493538 1.743875
H -1.247817 2.503795 -1.166886
H -1.462388 3.557392 0.258187
H -3.661015 2.510687 -0.796439
H -3.467840 2.452712 0.962704
H -1.476720 -2.436660 0.023154
H -5.364593 0.700418 -0.084677
H -3.795764 -3.347490 -0.044790
H -5.769427 -1.773519 -0.110286


