%chk=000107578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107578

0 1
 O   -1.766400       1.188200     -0.8813000    
 O    2.434000     -0.7038000       1.852800    
 N   -3.332900     -0.3875000     -5.9200000E-02
 N   -3.369100      -1.742300      0.1880000    
 N    3.273100      4.2900000E-02 -0.2482000    
 N    2.773500      0.2045000      -1.538600    
 C   -1.252100      -1.188500     -0.6486000    
 C   -2.211100      -2.222900     -0.1384000    
 C  -6.6399999E-02  -1.052300      0.2361000    
 C   -2.101700      5.6699999E-02 -0.5715000    
 C    1.125300     -0.6042000     -0.1732000    
 C    1.523000     -0.1666000      -1.511300    
 C    2.328500     -0.4521000      0.6679000    
 C   -1.863400      -3.669600     -3.6499999E-02
 C   -4.453800      0.3828000      0.2055000    
 C    4.580800      0.3425000      0.1002000    
 C   0.6134000     -0.1509000      -2.691600    
 C   -4.437600       1.761400     -3.6899999E-02
 C   -5.614300     -0.2093000      0.7175000    
 C    5.217200     -0.3623000       1.128300    
 C    5.278100       1.352100     -0.5729000    
 C   -5.566000       2.537100      0.2291000    
 C   -6.742700      0.5665000      0.9834000    
 C   -6.718500       1.939600      0.7392000    
 C    6.533200     -6.1200000E-02   1.479000    
 C    6.594200       1.653000     -0.2224000    
 C    7.221700      0.9462000      0.8036000    
 H   -1.067200      -1.482000      -1.676400    
 H  -0.1852000      -1.321600       1.284000    
 H   -2.742800      -4.252200      0.2501000    
 H   -1.082800      -3.809200      0.7155000    
 H   -1.498000      -4.024100      -1.003800    
 H  -0.2771000      0.4483000      -2.537000    
 H   0.3898000      -1.168600      -3.018100    
 H    1.150300      0.3213000      -3.523600    
 H   -3.585700       2.298300     -0.4305000    
 H   -5.674000      -1.275200      0.9214000    
 H    4.738800      -1.183700       1.652300    
 H    4.808500       1.921300      -1.371400    
 H   -5.548600       3.606500      3.9299998E-02
 H   -7.640500      0.1019000       1.380600    
 H   -7.597200       2.543500      0.9463000    
 H    7.025900     -0.6180000       2.270800    
 H    7.130400       2.438200     -0.7473000    
 H    8.247200       1.179200       1.075100    


%chk=000107578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107578

0 1
O -1.875503 1.250701 -0.893765
O 2.422786 -0.960408 1.812474
N -3.434008 -0.359767 -0.047238
N -3.462514 -1.779798 0.183169
N 3.365968 0.010931 -0.177432
N 2.901744 0.335123 -1.495290
C -1.322275 -1.206620 -0.665836
C -2.285987 -2.269288 -0.158051
C -0.043281 -1.103283 0.123366
C -2.204166 0.084062 -0.560355
C 1.152350 -0.605551 -0.307648
C 1.620286 -0.026771 -1.579333
C 2.348644 -0.563941 0.614135
C -1.977025 -3.729539 -0.037374
C -4.614749 0.396618 0.249119
C 4.724216 0.301350 0.157302
C 0.847502 0.216994 -2.843199
C -4.635887 1.804214 0.064693
C -5.762739 -0.281862 0.733880
C 5.223966 0.006918 1.453888
C 5.570016 0.887325 -0.820029
C -5.813301 2.519700 0.370176
C -6.928046 0.452848 1.032797
C -6.963198 1.855346 0.853793
C 6.570022 0.302595 1.756891
C 6.911623 1.174806 -0.495747
C 7.422121 0.885449 0.791221
H -1.102180 -1.355442 -1.739854
H -0.078369 -1.424009 1.176161
H -2.842368 -4.271252 0.376028
H -1.103758 -3.897036 0.620871
H -1.722228 -4.163973 -1.022699
H -0.053630 0.822581 -2.636240
H 0.528888 -0.731802 -3.316990
H 1.483104 0.757081 -3.563389
H -3.750459 2.321683 -0.309740
H -5.726628 -1.364403 0.871373
H 4.566428 -0.441655 2.201481
H 5.167061 1.109008 -1.810478
H -5.825851 3.605837 0.227800
H -7.811419 -0.075333 1.408169
H -7.871520 2.420486 1.088075
H 6.951154 0.074245 2.758511
H 7.559700 1.628135 -1.254197
H 8.465311 1.111596 1.036810


