%chk=000161370.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161370

0 1
 O   -4.001900       2.505000      9.5299996E-02
 O   -5.308900      0.7618000     -0.1732000    
 N   0.6312000      0.7535000      0.3479000    
 N    4.260400     -7.1000002E-02  0.4025000    
 N   -4.171800       1.269000     -2.7100001E-02
 C    1.809300     -7.5300001E-02  0.5605000    
 C    1.711400      -1.350900     -0.2826000    
 C   0.4404000      -2.123200      7.0699997E-02
 C    3.057400      0.7217000      0.1957000    
 C  -0.7700000      -1.223500      4.0800001E-02
 C  -0.6225000      0.1685000      0.2042000    
 C   -2.047100      -1.782600     -0.1078000    
 C    5.452500      0.6866000      4.4700000E-02
 C   -1.768800      0.9755000      0.1622000    
 C   -3.175400     -0.9654000     -0.1299000    
 C   -3.036000      0.4132000      9.9999997E-05
 C    5.366700       1.095100      -1.419900    
 C    6.691500     -0.1577000      0.3137000    
 C   -4.518200      -1.600000     -0.2978000    
 H    1.851000     -0.3476000       1.623900    
 H    2.573900      -2.007700     -0.1231000    
 H    1.693800      -1.094500      -1.350900    
 H   0.5309000      -2.553400       1.075400    
 H   0.3168000      -2.948600     -0.6401000    
 H    3.095800       1.634900      0.8038000    
 H    2.940900       1.031600     -0.8483000    
 H   0.6781000       1.741900      0.5682000    
 H    4.315800     -0.3655000       1.377200    
 H   -2.146700      -2.860900     -0.2111000    
 H    5.525600       1.589200      0.6647000    
 H   -1.639400       2.051700      0.2658000    
 H    5.082000      0.2564000      -2.065900    
 H    6.342700       1.451700      -1.770500    
 H    4.669600       1.922500      -1.586500    
 H    7.601700      0.4004000      6.8800002E-02
 H    6.753300     -0.4426000       1.369900    
 H    6.690200      -1.075900     -0.2847000    
 H   -4.415600      -2.690400     -0.3770000    
 H   -5.159000      -1.442900      0.5762000    
 H   -5.002200      -1.295900      -1.231700    


%chk=000161370-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161370

0 1
O -4.003197 2.560585 0.574215
O -5.459951 0.882907 0.097841
N 0.589550 0.700657 0.487855
N 4.295408 0.098646 0.404038
N -4.256801 1.322968 0.282969
C 1.824870 -0.101523 0.505713
C 1.671077 -1.295620 -0.460469
C 0.417520 -2.125045 -0.102790
C 3.026140 0.801807 0.143350
C -0.822705 -1.246992 -0.016219
C -0.675239 0.147550 0.287214
C -2.114448 -1.763130 -0.230686
C 5.538202 0.775899 -0.061925
C -1.837955 0.948061 0.370888
C -3.307249 -0.997203 -0.150119
C -3.116327 0.383997 0.160630
C 5.660714 0.698564 -1.599800
C 6.746314 0.099515 0.617370
C -4.637992 -1.680866 -0.395420
H 2.000310 -0.511159 1.531000
H 2.586799 -1.908493 -0.407832
H 1.583505 -0.907448 -1.493743
H 0.581225 -2.631853 0.871391
H 0.260234 -2.928610 -0.845927
H 2.940260 1.768304 0.709762
H 2.963969 1.057241 -0.929961
H 0.648887 1.677267 0.778002
H 4.373474 -0.156007 1.399767
H -2.208697 -2.829051 -0.474217
H 5.534246 1.857106 0.231126
H -1.778749 2.016259 0.599796
H 5.687539 -0.358208 -1.920741
H 6.587369 1.198227 -1.936975
H 4.812932 1.191365 -2.108830
H 7.691171 0.566772 0.289092
H 6.691523 0.186777 1.719966
H 6.776936 -0.974013 0.355533
H -4.473001 -2.750208 -0.614704
H -5.311932 -1.595721 0.474910
H -5.186529 -1.224625 -1.237969


