%chk=000160543.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160543

0 1
 O    5.184200     -0.2157000     -8.0399998E-02
 O   -3.289900      -1.906400       1.240900    
 N    1.076100      0.4986000      0.6204000    
 N   -1.857000     -0.5708000     -4.2100001E-02
 C   0.4173000      -1.377400     -0.9124000    
 C    1.457300     -0.8297000      0.1058000    
 C  -0.3338000      0.9049000      -1.398200    
 C   0.1606000     -0.3864000      -2.043000    
 C   0.7483000       1.456900     -0.4437000    
 C    2.885300     -0.8457000     -0.4779000    
 C  -0.9318000      -1.693500     -0.2439000    
 C    2.055000       1.026100       1.577000    
 C   -1.631700      0.6698000     -0.6478000    
 C    3.905300     -0.3231000      0.5325000    
 C    3.488600       1.049200       1.050100    
 C   -2.547900       1.647900     -0.5456000    
 C   -3.024200     -0.8338000      0.6985000    
 C   -3.757700       1.446000      0.2005000    
 C   -4.004100      0.2831000      0.8092000    
 H   0.8097000      -2.313200      -1.330700    
 H    1.458800      -1.521100      0.9605000    
 H  -0.4991000       1.641900      -2.195300    
 H  -0.5851000     -0.7834000      -2.743700    
 H    1.070000     -0.2036000      -2.625800    
 H    1.637000       1.720900      -1.030300    
 H   0.3822000       2.388800      6.3000000E-03
 H    3.162100      -1.866500     -0.7705000    
 H    2.954000     -0.2517000      -1.397200    
 H   -1.474000      -2.411600     -0.8746000    
 H  -0.7787000      -2.198400      0.7182000    
 H    2.020300      0.4038000       2.480700    
 H    1.763800       2.031400       1.905400    
 H    3.989900      -1.030500       1.366200    
 H    3.597100       1.799300      0.2565000    
 H    4.172500       1.366200       1.847000    
 H   -2.394500       2.621400     -0.9993000    
 H    5.805300      0.1132000      0.5916000    
 H   -4.462600       2.267200      0.2655000    
 H   -4.910600      0.1177000       1.379000    


%chk=000160543-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000160543

0 1
O 5.239319 -0.334988 -0.076018
O -3.199203 -2.029558 1.159421
N 1.081523 0.536161 0.564623
N -1.872223 -0.541457 -0.090061
C 0.408849 -1.370891 -0.909311
C 1.468306 -0.819535 0.083576
C -0.353247 0.929052 -1.436535
C 0.159177 -0.382693 -2.070474
C 0.755300 1.500703 -0.505610
C 2.921235 -0.856322 -0.483226
C -0.932962 -1.696230 -0.221075
C 2.031400 1.039598 1.581457
C -1.646456 0.697395 -0.669073
C 3.912229 -0.339589 0.571332
C 3.508198 1.060213 1.080545
C -2.592263 1.712385 -0.523106
C -3.063288 -0.854963 0.679111
C -3.778591 1.476237 0.236582
C -4.005891 0.236985 0.822445
H 0.802294 -2.327052 -1.304999
H 1.452511 -1.480853 0.977253
H -0.554656 1.685371 -2.216857
H -0.583771 -0.798335 -2.776644
H 1.086059 -0.191912 -2.641261
H 1.627056 1.771325 -1.153784
H 0.399740 2.432596 -0.027813
H 3.198027 -1.889098 -0.767082
H 3.020257 -0.228366 -1.388656
H -1.474792 -2.484098 -0.778452
H -0.778820 -2.101998 0.794330
H 1.958765 0.383630 2.472718
H 1.716654 2.051514 1.895216
H 3.920655 -1.044031 1.436036
H 3.627008 1.787288 0.253938
H 4.176378 1.381438 1.905593
H -2.407113 2.679766 -0.997659
H 5.910397 -0.000123 0.572778
H -4.515695 2.279112 0.352742
H -4.904364 0.023122 1.407400


