%chk=000178217.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178217

0 1
 O   -3.689900       2.470400      0.1900000    
 O    5.235500     -0.1106000      -1.367100    
 O   0.2462000      -2.529900     -0.8513000    
 O   0.2940000      -2.496100       1.411700    
 N   -1.653200     -0.4361000      0.3389000    
 N   -1.469200       1.790700      0.1058000    
 N    1.199000       1.712900     -6.8700001E-02
 C   -3.028700      0.1251000      0.3761000    
 C   -3.831900     -0.4415000     -0.7872000    
 C   -2.817800       1.617000      0.2142000    
 C   -3.663000     -0.1931000       1.723800    
 C   -3.122300     -0.1757000      -2.114600    
 C   -4.071200      -1.939600     -0.6006000    
 C  -0.8604000      0.5808000      0.1838000    
 C   0.5807000      0.5165000      9.3400002E-02
 C    1.265100     -0.6921000      0.1683000    
 C    3.313400      0.5408000     -9.4300002E-02
 C    2.652000     -0.6709000      7.2200000E-02
 C    4.795900      0.5972000     -0.2003000    
 C    2.547800       1.693900     -0.1582000    
 C   0.5733000      -1.960500      0.3424000    
 C    5.504700      7.9999998E-04   1.021600    
 H   -4.810900      5.4099999E-02 -0.8318000    
 H   -3.572400      -1.252100       1.987400    
 H   -3.170100      0.3684000       2.527100    
 H   -4.722200      8.6199999E-02   1.742700    
 H   -2.155700     -0.6855000      -2.183400    
 H   -3.734700     -0.5480000      -2.944300    
 H   -2.967400      0.8919000      -2.297700    
 H   -3.137000      -2.494800     -0.4661000    
 H   -4.573100      -2.355700      -1.481900    
 H   -4.723900      -2.145500      0.2531000    
 H   -1.006500       2.684600     -1.3900000E-02
 H    3.210200      -1.602800      0.1197000    
 H    5.125700       1.636300     -0.3190000    
 H    3.002900       2.671000     -0.2872000    
 H    5.327900      -1.076800       1.109000    
 H    5.179100      0.4851000       1.948000    
 H    6.589000      0.1271000      0.9267000    
 H    6.203300     -2.6799999E-02  -1.412400    
 H  -0.2238000      -3.382600     -0.7316000    


%chk=000178217-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178217

0 1
O -3.655771 2.551494 0.252131
O 5.445717 -0.859883 -0.594939
O -0.041934 -2.260550 -1.574512
O 0.712146 -3.112180 0.456165
N -1.634612 -0.502497 0.308225
N -1.413902 1.773674 0.050336
N 1.324343 1.593719 -0.032040
C -3.007961 0.099759 0.440221
C -3.970965 -0.465121 -0.663849
C -2.799259 1.634565 0.239121
C -3.534072 -0.145663 1.875957
C -3.428306 -0.186229 -2.086352
C -4.245255 -1.973670 -0.469294
C -0.807810 0.500198 0.088081
C 0.655286 0.396932 -0.073594
C 1.333009 -0.844588 -0.216202
C 3.444822 0.386205 -0.140970
C 2.745800 -0.838591 -0.219512
C 4.964272 0.441221 -0.104275
C 2.681062 1.577984 -0.081161
C 0.626992 -2.163366 -0.351924
C 5.494159 0.730141 1.319959
H -4.918644 0.097750 -0.535291
H -3.557972 -1.225082 2.093414
H -2.877438 0.336892 2.620980
H -4.548607 0.277707 1.979184
H -2.459262 -0.694036 -2.245966
H -4.141738 -0.559406 -2.843222
H -3.290225 0.895223 -2.268259
H -3.294675 -2.536477 -0.441375
H -4.854362 -2.357391 -1.308216
H -4.795975 -2.184160 0.464029
H -0.882254 2.637627 -0.071181
H 3.311410 -1.769115 -0.309035
H 5.307359 1.249231 -0.787874
H 3.169909 2.560015 -0.071307
H 5.185309 -0.073172 2.011189
H 5.104175 1.689123 1.705283
H 6.599081 0.792935 1.320189
H 6.427482 -0.909796 -0.480518
H -0.530933 -3.127321 -1.609294


