%chk=000161640.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161640

0 1
 O  -0.9425000       1.555500     -0.1548000    
 O   -3.016400       2.504900     -0.1832000    
 N   -4.311900      9.9600002E-02  9.3000000E-03
 N   -6.452000     -0.5699000      6.4800002E-02
 N    3.440400     -0.4063000     -9.6400000E-02
 N   -5.102400       1.236500     -3.7999999E-02
 N    4.010600      0.8111000     -0.1925000    
 N    4.254600      -1.478500     -3.3100002E-02
 C   -5.117700      -1.119800      0.1105000    
 C   -2.946900      0.1346000     -1.8300001E-02
 C  -0.7177000     -0.8540000      1.0700000E-02
 C  -0.1371000      0.4040000     -8.8900000E-02
 C   -2.166500     -0.9537000      4.4399999E-02
 C    2.065600     -0.5504000     -6.2500000E-02
 C    1.245300      0.5737000     -0.1263000    
 C   0.1110000      -1.976800      7.4299999E-02
 C   -2.332900       1.487000     -0.1244000    
 C    1.500000      -1.823300      3.7500001E-02
 C    5.308100      0.4928000     -0.1914000    
 C   -6.321000      0.7801000      6.6000000E-03
 C    5.456200     -0.8980000     -9.4700001E-02
 C    6.338700       1.536300     -0.2828000    
 C   -7.634500      -1.345200      0.2990000    
 C    6.684300      -1.704500     -5.7500001E-02
 C    6.784700       2.064400       1.087700    
 H   -4.937600      -1.638300       1.058400    
 H   -4.943700      -1.790400     -0.7377000    
 H   -2.585700      -1.951900      0.1229000    
 H    1.642900       1.581900     -0.2042000    
 H  -0.3099000      -2.976200      0.1524000    
 H    2.105600      -2.724600      8.9800000E-02
 H   -7.239100       1.385000      7.1999999E-03
 H    7.217000       1.148700     -0.8130000    
 H    5.969300       2.378700     -0.8808000    
 H   -7.525000      -2.355800     -0.1070000    
 H   -8.504000     -0.8833000     -0.1794000    
 H   -7.832200      -1.423900       1.372400    
 H    7.223200      -1.625800      -1.007200    
 H    7.348200      -1.360200      0.7419000    
 H    6.470600      -2.763700      0.1203000    
 H    5.941200       2.501000       1.633000    
 H    7.550500       2.836300      0.9639000    
 H    7.203900       1.259800       1.701000    


%chk=000161640-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161640

0 1
O -0.987082 1.647546 -0.279424
O -2.985001 2.743707 -0.458732
N -4.445652 0.205421 -0.056687
N -6.534691 -0.669822 0.065698
N 3.411983 -0.366123 -0.076082
N -5.367236 1.304359 -0.069282
N 4.046792 0.855683 -0.215667
N 4.262591 -1.454722 0.023879
C -5.131633 -1.106433 0.090637
C -3.062788 0.310420 -0.084198
C -0.829825 -0.776834 0.017695
C -0.203829 0.493168 -0.144041
C -2.266032 -0.834607 0.050000
C 1.995182 -0.497239 -0.046787
C 1.190006 0.655039 -0.177922
C 0.021397 -1.914215 0.146192
C -2.436071 1.644884 -0.285654
C 1.415886 -1.786795 0.115397
C 5.375621 0.530671 -0.200167
C -6.556160 0.723051 0.012032
C 5.508400 -0.894390 -0.051441
C 6.448753 1.580507 -0.299258
C -7.644254 -1.573324 0.335272
C 6.752095 -1.731888 0.014466
C 7.093267 1.912686 1.073359
H -4.861139 -1.614459 1.051098
H -4.878935 -1.796316 -0.747552
H -2.730207 -1.815951 0.189911
H 1.635950 1.643580 -0.302920
H -0.429799 -2.905192 0.272148
H 2.072436 -2.654043 0.213109
H -7.480778 1.296098 0.016293
H 7.235727 1.238430 -0.999064
H 6.006074 2.496541 -0.728926
H -7.675479 -2.400169 -0.399661
H -8.593257 -1.017481 0.258874
H -7.582807 -2.013927 1.352307
H 7.438957 -1.494578 -0.818384
H 7.306364 -1.562008 0.956363
H 6.492712 -2.801347 -0.040778
H 6.331879 2.291132 1.777563
H 7.873698 2.686420 0.958474
H 7.562087 1.019920 1.525758


