%chk=000165030.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165030

1 1
 O  -0.3645000      -1.201400     -6.6699997E-02
 O    2.392200       2.727900     -0.5419000    
 N    4.404100      -1.628200     -0.2609000    
 N   -5.088200     -0.6265000      0.1060000    
 N  -0.1604000       1.650300     -0.3253000    
 C    3.252800     -0.8134000     -0.2757000    
 C   0.8544000     -0.5772000     -0.1796000    
 C   -3.922100     -9.8499998E-02  3.8999999E-03
 C   0.9664000      0.8123000     -0.3061000    
 C   -1.491400     -0.3944000     -8.3600000E-02
 C    1.989200      -1.390000     -0.1639000    
 C   -1.320700       1.078400     -0.2202000    
 C    4.283500      -3.066500     -0.1296000    
 C    5.721900      -1.038900     -0.3905000    
 C    2.240700       1.378100     -0.4173000    
 C    3.378900      0.5692000     -0.4022000    
 C   -2.708400     -0.9386000      2.0700000E-02
 C   -6.320000      0.2036000      9.3099996E-02
 C   -5.266500      -2.094900      0.2425000    
 C   -3.764600       1.361500     -0.1309000    
 C   -2.550100       1.905200     -0.2349000    
 C    4.084100      -3.443300       1.325800    
 C    6.265700     -0.6697000      0.9762000    
 C   -6.679500      0.5859000       1.512900    
 C   -5.419600      -2.709300      -1.132300    
 C    2.525300       3.477400      0.6633000    
 C    2.696700       4.941200      0.3173000    
 H    1.827100      -2.457600     -6.4300001E-02
 H    3.498400      -3.483400     -0.7704000    
 H    5.202200      -3.555900     -0.4781000    
 H    6.410000      -1.770300     -0.8345000    
 H    5.761300     -0.1971000      -1.089200    
 H    4.334800       1.076300     -0.4741000    
 H   -2.754600      -2.017600      8.8900000E-02
 H   -6.234900       1.053000     -0.5883000    
 H   -7.124100     -0.4138000     -0.3254000    
 H   -4.480500      -2.549700      0.8493000    
 H   -6.190100      -2.258500      0.8111000    
 H   -4.601600       2.046200     -0.1204000    
 H   -2.431500       2.980200     -0.3227000    
 H    4.954000      -3.178300       1.933100    
 H    3.211700      -2.963300       1.777700    
 H    3.947600      -4.526500       1.412100    
 H    5.594300      3.1000001E-03   1.518700    
 H    6.430200      -1.554400       1.597400    
 H    7.231600     -0.1651000      0.8689000    
 H   -6.833100     -0.2947000       2.146300    
 H   -5.901800       1.199100       1.980500    
 H   -7.608800       1.165000       1.520100    
 H   -6.267700      -2.281900      -1.678500    
 H   -4.523900      -2.566000      -1.745900    
 H   -5.592600      -3.786800      -1.042900    
 H    1.632400       3.346700       1.285100    
 H    3.399600       3.126200       1.223700    
 H    2.803300       5.546800       1.221500    
 H    3.580300       5.087600     -0.3126000    
 H    1.835600       5.305600     -0.2526000    


%chk=000165030-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165030

1 1
O -0.316532 -1.131685 -0.029064
O 2.794606 2.759006 0.008728
N 4.471112 -1.702404 -0.297250
N -5.129742 -0.636370 0.164668
N -0.010831 1.711804 0.070531
C 3.378194 -0.870691 -0.182542
C 0.968986 -0.550894 -0.059510
C -3.873300 -0.078085 0.139732
C 1.080188 0.903655 -0.005869
C -1.443545 -0.298778 0.048566
C 2.040905 -1.414851 -0.137795
C -1.251268 1.131686 0.094880
C 4.324513 -3.185027 -0.275588
C 5.854624 -1.155619 -0.379216
C 2.442916 1.431536 -0.038558
C 3.532332 0.554077 -0.120837
C -2.694091 -0.899566 0.064779
C -6.369333 0.189202 0.153990
C -5.339236 -2.109102 0.202914
C -3.696475 1.364091 0.190960
C -2.434126 1.937245 0.167290
C 4.104973 -3.774318 1.136539
C 6.485026 -0.828128 0.993320
C -6.819730 0.620939 1.566653
C -5.363051 -2.752132 -1.201274
C 1.834249 3.907053 0.110026
C 2.698257 5.161246 0.135279
H 1.843587 -2.486565 -0.170041
H 3.499870 -3.477868 -0.950925
H 5.245331 -3.607228 -0.711825
H 6.470899 -1.907968 -0.900750
H 5.846455 -0.259972 -1.025021
H 4.518278 1.019917 -0.125435
H -2.747084 -1.987682 0.002432
H -6.224112 1.065391 -0.500743
H -7.158633 -0.421378 -0.319026
H -4.564659 -2.573740 0.837575
H -6.303250 -2.286538 0.711631
H -4.567627 2.017433 0.264062
H -2.306855 3.022871 0.210132
H 4.960351 -3.557349 1.798150
H 3.194611 -3.371212 1.612395
H 3.998405 -4.871531 1.066731
H 5.883949 -0.091016 1.552898
H 6.586860 -1.732782 1.616617
H 7.494216 -0.404774 0.844321
H -7.001564 -0.256357 2.212143
H -6.063000 1.255231 2.059842
H -7.761173 1.194329 1.501029
H -6.163330 -2.316184 -1.824891
H -4.404819 -2.612325 -1.730816
H -5.554216 -3.836209 -1.113699
H 1.154595 3.873111 -0.758153
H 1.234344 3.782371 1.027634
H 2.048286 6.051868 0.210624
H 3.380670 5.157699 1.001811
H 3.299094 5.249667 -0.785456


