%chk=000033201.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033201

0 1
 O   0.6518000       1.736300      0.3647000    
 N    2.528000     -0.3092000     -0.1968000    
 N   -1.790100      -2.613300       1.376300    
 C    2.934000       1.046300      0.1731000    
 C    3.518900      -1.282300      0.2612000    
 C    2.343200     -0.4104000      -1.644000    
 C    1.886300       2.058200     -0.2625000    
 C  -0.3734000       2.648900     -3.1000001E-03
 C   -1.676600       2.267200      0.6904000    
 C    3.723900      -1.191300       1.763900    
 C    1.861900      -1.795800      -2.040400    
 C   -2.160100      0.8950000      0.2884000    
 C   -1.750800     -0.2104000       1.017100    
 C   -3.003800      0.7656000     -0.8035000    
 C   -2.196900      -1.478400      0.6442000    
 C   -3.449700     -0.5022000      -1.176400    
 C   -3.046400      -1.624200     -0.4524000    
 H    3.907800       1.311300     -0.2575000    
 H    3.006300       1.143700       1.261300    
 H    4.482200      -1.159100     -0.2497000    
 H    3.172000      -2.303300      7.1699999E-02
 H    3.258800     -0.1620000      -2.195100    
 H    1.554200      0.2621000      -1.991500    
 H    2.203800       3.047200      9.3099996E-02
 H    1.776900       2.143900      -1.348000    
 H  -0.5043000       2.634900      -1.092000    
 H  -8.6099997E-02   3.662100      0.3014000    
 H   -2.448900       3.013100      0.4662000    
 H   -1.535900       2.288800       1.778800    
 H    4.323800     -0.3231000       2.053900    
 H    2.771500      -1.167000       2.304900    
 H    4.271600      -2.074900       2.111600    
 H    2.657100      -2.545900      -1.990600    
 H    1.020600      -2.125900      -1.421000    
 H    1.514000      -1.780200      -3.079700    
 H   -1.088400     -9.5399998E-02   1.871500    
 H   -3.321400       1.633300      -1.374600    
 H   -4.110600     -0.6159000      -2.030800    
 H   -3.400800      -2.606900     -0.7531000    
 H   -2.110800      -3.533000       1.103900    
 H   -1.170500      -2.509200       2.168700    


%chk=000033201-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033201

0 1
O 0.804496 2.082179 0.317362
N 2.654514 -0.355759 -0.293235
N -0.932928 -2.469446 -0.106022
C 2.975863 1.081067 -0.059125
C 3.219233 -1.234826 0.772609
C 3.071508 -0.780732 -1.660875
C 1.926074 2.047925 -0.623093
C -0.385564 2.774868 -0.206636
C -1.582257 2.413167 0.688770
C 2.437096 -1.158826 2.097385
C 2.338064 -2.036707 -2.166708
C -2.153515 1.014222 0.468099
C -1.294898 -0.092858 0.284906
C -3.559961 0.812278 0.457524
C -1.817022 -1.400875 0.082457
C -4.081293 -0.488631 0.269682
C -3.227839 -1.595615 0.081428
H 3.977236 1.342544 -0.484738
H 3.031110 1.266064 1.027589
H 4.299584 -1.001270 0.956191
H 3.187396 -2.276410 0.403126
H 4.179698 -0.941538 -1.712693
H 2.846518 0.053013 -2.352357
H 2.366147 3.065889 -0.730943
H 1.575638 1.714525 -1.624989
H -0.575178 2.459476 -1.256112
H -0.205931 3.872996 -0.193354
H -2.380146 3.163600 0.526776
H -1.248643 2.529540 1.740163
H 2.432137 -0.138288 2.518857
H 1.384796 -1.457019 1.946855
H 2.891263 -1.832347 2.848227
H 2.538435 -2.919765 -1.532301
H 1.247770 -1.861469 -2.186869
H 2.669979 -2.286422 -3.191632
H -0.209759 0.061240 0.300221
H -4.238018 1.663186 0.594018
H -5.167202 -0.642745 0.263682
H -3.645989 -2.599272 -0.067474
H -1.273576 -3.414842 -0.250182
H 0.068267 -2.293517 -0.142991


