%chk=000037459.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037459

0 1
 O    3.951900     -0.9196000       1.538100    
 N   0.8819000      -1.143000     -0.2409000    
 C    3.716100     -0.5831000      0.1675000    
 C    1.253200      2.5800001E-02  0.5854000    
 C    2.643900      0.5181000      9.9799998E-02
 C    5.038200     -0.1016000     -0.4307000    
 C    3.223700      -1.842100     -0.5493000    
 C    1.830600      -2.250500     -6.9600001E-02
 C  -0.4717000      -1.567600      0.1088000    
 C   -1.490600     -0.5235000     -0.4078000    
 C   0.1932000       1.133500      0.5356000    
 C   -1.107700      0.9057000     -1.5000000E-03
 C    4.844900      0.2229000      -1.921100    
 C    5.510600       1.162500      0.3061000    
 C    6.103500      -1.200700     -0.2854000    
 C   -2.933400     -0.9296000     -7.3500000E-02
 C   -1.962300       2.022800     -0.1934000    
 C   0.5155000       2.396800       1.066100    
 C   -3.294300       2.040900     -0.9215000    
 C   -3.997000     -0.3220000     -0.7704000    
 C   -3.721600      0.8132000      -1.716000    
 C   -1.577500       3.280100      0.3204000    
 C  -0.3664000       3.460700      0.9685000    
 C   -3.258400      -1.909500      0.8826000    
 C   -5.326200     -0.7094000     -0.5282000    
 C   -4.583200      -2.287800       1.120200    
 C   -5.617000      -1.693100      0.4103000    
 H    1.316000     -0.2716000       1.641600    
 H    2.515500      0.9199000     -0.9098000    
 H    2.953600       1.343500      0.7464000    
 H    3.882500      -2.695900     -0.3551000    
 H    3.155800      -1.711900      -1.632700    
 H    1.510600      -3.106300     -0.6779000    
 H    1.856400      -2.599300      0.9702000    
 H  -0.5382000      -1.709300       1.195500    
 H  -0.7002000      -2.533600     -0.3618000    
 H   -1.393100     -0.5617000      -1.503000    
 H    4.111600       1.008000      -2.116600    
 H    5.790600      0.6045000      -2.329900    
 H    4.603200     -0.6485000      -2.534800    
 H    5.557300       1.019000       1.390800    
 H    4.878900       2.032300      9.8499998E-02
 H    6.520700       1.439400     -2.0600000E-02
 H    5.884900      -2.084200     -0.8932000    
 H    7.079000     -0.8326000     -0.6267000    
 H    6.233900      -1.520600      0.7537000    
 H    3.130400      -1.232600       1.946600    
 H    1.465200       2.571800       1.562900    
 H   -4.073000       2.283600     -0.1846000    
 H   -3.262900       2.876500      -1.634700    
 H   -2.978000      0.5318000      -2.469400    
 H   -4.631300       1.056000      -2.279900    
 H   -2.239100       4.138000      0.2113000    
 H  -9.9200003E-02   4.433100       1.370300    
 H   -2.495200      -2.413800       1.466500    
 H   -6.144600     -0.2312000      -1.060800    
 H   -4.802400      -3.051300       1.861300    
 H   -6.646300      -1.985000      0.5950000    


%chk=000037459-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037459

0 1
O 4.068104 -0.817127 1.555403
N 0.836748 -1.193298 -0.098579
C 3.721548 -0.562750 0.123397
C 1.254982 0.014384 0.645696
C 2.604335 0.516380 0.064338
C 5.084241 -0.073699 -0.516774
C 3.189499 -1.880188 -0.503522
C 1.816207 -2.285147 0.069316
C -0.542567 -1.562124 0.253468
C -1.523997 -0.549833 -0.373872
C 0.171842 1.102494 0.610192
C -1.117284 0.895261 0.018906
C 4.915738 0.290062 -2.017561
C 5.608054 1.179776 0.241253
C 6.154690 -1.195546 -0.394079
C -2.985618 -0.929217 -0.074582
C -1.972829 2.029853 -0.159910
C 0.506774 2.358994 1.169108
C -3.288687 2.067401 -0.951618
C -4.027378 -0.324888 -0.836224
C -3.688548 0.817366 -1.770094
C -1.591146 3.281560 0.389075
C -0.382394 3.445587 1.087981
C -3.336814 -1.922167 0.875494
C -5.370337 -0.724874 -0.643010
C -4.681738 -2.311166 1.071406
C -5.706527 -1.716656 0.304937
H 1.421453 -0.253866 1.731826
H 2.416970 0.817475 -0.981369
H 2.943827 1.400898 0.625585
H 3.911855 -2.694963 -0.319343
H 3.076597 -1.754029 -1.595037
H 1.444945 -3.181053 -0.460927
H 1.919172 -2.577212 1.153212
H -0.675047 -1.599150 1.364619
H -0.758589 -2.570779 -0.143182
H -1.382094 -0.648769 -1.471173
H 4.224168 1.138337 -2.168732
H 5.897506 0.588850 -2.429896
H 4.553282 -0.563477 -2.618639
H 5.675882 0.979192 1.323236
H 4.957417 2.059954 0.087076
H 6.614317 1.446193 -0.132739
H 5.927212 -2.059583 -1.044907
H 7.141341 -0.802999 -0.702949
H 6.228182 -1.548487 0.648185
H 3.271475 -1.192348 2.010574
H 1.472707 2.489311 1.669462
H -4.118952 2.299502 -0.253744
H -3.221357 2.931008 -1.643608
H -2.867301 0.549722 -2.463202
H -4.565072 1.069585 -2.394984
H -2.264895 4.138205 0.259563
H -0.122526 4.411828 1.533451
H -2.564591 -2.408631 1.478016
H -6.158469 -0.250130 -1.240550
H -4.923178 -3.078368 1.815759
H -6.750633 -2.018754 0.443475


