%chk=000127835.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127835

0 1
 O   0.6516000       1.280300     -0.6562000    
 O   0.3923000      -1.509000      0.5032000    
 O    3.271400      0.6131000      0.9178000    
 O    1.120200      0.5906000      -3.313700    
 O    2.124600      -2.895300       1.146300    
 O    4.732600      0.6606000     -0.8708000    
 N   -1.097300      0.8590000      0.9027000    
 N   -3.072800       1.042700       1.932100    
 N   -1.839400      4.3299999E-02  -1.263000    
 N   -4.266900     -0.1959000      -1.342100    
 N   -5.671200      0.3303000      0.5229000    
 C    1.103600     -0.3774000      0.9879000    
 C    2.358900     -0.1806000      0.1623000    
 C   0.3459000      0.9154000      0.7008000    
 C    1.873600      0.6214000      -1.047000    
 C    1.569200     -0.2450000      -2.261200    
 C   -2.043100      0.4619000     -4.8000002E-03
 C   -1.770700       1.197200       2.051100    
 C   -3.257200      0.5837000      0.6521000    
 C    1.022700      -2.713600      0.6464000    
 C    4.423500      0.9632000      0.2737000    
 C   -4.397800      0.2360000     -6.4700000E-02
 C   0.1603000      -3.808300      9.5299996E-02
 C    5.280200       1.790800       1.183300    
 C   -3.014300     -0.2643000      -1.854400    
 H    1.279800     -0.4894000       2.064300    
 H    2.877600      -1.091200     -0.1486000    
 H   0.7240000       1.730000       1.331700    
 H    2.537200       1.435400      -1.350900    
 H   0.7764000     -0.9692000      -2.055000    
 H    2.465400     -0.7769000      -2.594900    
 H   -1.257500       1.546500       2.936600    
 H   0.9363000      1.6799999E-02  -4.077000    
 H  -2.0300001E-02  -3.636000     -0.9687000    
 H  -0.7837000      -3.847700      0.6446000    
 H   0.6726000      -4.767600      0.2115000    
 H    5.544400       1.211800       2.071800    
 H    4.749100       2.704300       1.462300    
 H    6.200600       2.068300      0.6617000    
 H   -2.946600     -0.6142000      -2.878900    
 H   -5.771500      0.6533000       1.475700    
 H   -6.485000      7.2600000E-02 -1.8700000E-02


%chk=000127835-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127835

0 1
O 0.848621 1.572680 -0.514329
O 0.778955 -1.579445 0.336185
O 3.569880 0.748834 0.684605
O 0.427734 0.754884 -3.174397
O 0.244260 -2.137138 2.542478
O 5.187539 0.365279 -0.948960
N -0.920368 0.618542 0.812323
N -2.944252 0.334118 1.870189
N -1.714094 0.293974 -1.561609
N -4.119791 -0.184197 -1.674049
N -5.479797 -0.280188 0.255668
C 1.454271 -0.363174 0.824481
C 2.602120 -0.028515 -0.144247
C 0.528349 0.899191 0.729161
C 1.954927 0.850171 -1.229596
C 1.406395 0.012091 -2.416886
C -1.856100 0.357202 -0.203772
C -1.639570 0.598722 2.025881
C -3.093508 0.182581 0.480435
C 0.188557 -2.406130 1.325300
C 4.861819 0.889030 0.137210
C -4.248379 -0.096725 -0.306957
C -0.483472 -3.588202 0.674254
C 5.724428 1.742964 1.035066
C -2.884321 0.016710 -2.213979
H 1.806632 -0.526197 1.855950
H 3.101180 -0.922229 -0.554688
H 0.761425 1.573663 1.576102
H 2.622859 1.644242 -1.598497
H 0.985227 -0.943772 -2.038515
H 2.251715 -0.218391 -3.091429
H -1.148703 0.766841 2.982100
H -0.414758 0.742491 -2.596685
H 0.206275 -4.088497 -0.025683
H -1.352197 -3.242522 0.085793
H -0.822418 -4.294317 1.445269
H 5.612232 1.439312 2.088703
H 5.406825 2.798607 0.958890
H 6.775883 1.661998 0.724207
H -2.819004 -0.045312 -3.304088
H -5.591286 -0.207361 1.265149
H -6.277389 -0.464911 -0.349534


