%chk=000161928.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161928

0 1
 O   -4.655000      0.4602000      0.1295000    
 N   -1.247600       1.154400     -0.5609000    
 N   -2.599700       1.197000     -0.5694000    
 N    5.037800      4.7499999E-02  0.1103000    
 C   -1.435000      -1.107500      0.4080000    
 C   -2.729800     -0.6221000       1.040400    
 C  -0.6530000      0.1065000     -7.4500002E-02
 C   -1.699900      -2.061900     -0.7580000    
 C   0.8459000      9.0599999E-02 -2.4499999E-02
 C   -3.428100      0.3688000      0.1504000    
 C    1.529500      -1.114500     -0.1576000    
 C    1.544500       1.281400      0.1536000    
 C    2.923700      -1.129000     -0.1122000    
 C    2.938600       1.266900      0.1988000    
 C    3.628100      6.1600000E-02  6.6000000E-02
 H  -0.8560000      -1.636500       1.173800    
 H   -2.520900     -0.1134000       1.989500    
 H   -3.402900      -1.461200       1.247000    
 H   -2.214000      -2.961800     -0.4036000    
 H   -2.333300      -1.598000      -1.522500    
 H  -0.7882000      -2.380400      -1.267400    
 H   -2.991700       1.947000      -1.129800    
 H    1.027100      -2.064900     -0.2833000    
 H    1.026800       2.230000      0.2664000    
 H    3.450100      -2.074700     -0.2140000    
 H    3.476200       2.201100      0.3396000    
 H    5.548800      0.9102000      0.2419000    
 H    5.538400     -0.8263000      1.6300000E-02


%chk=000161928-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161928

0 1
O -4.771347 0.514674 0.250194
N -1.230281 1.248932 -0.249741
N -2.638395 1.267703 -0.275458
N 5.102545 0.060524 0.061172
C -1.469304 -1.175854 0.307122
C -2.808166 -0.806390 0.994870
C -0.645682 0.092418 0.058495
C -1.702572 -1.919877 -1.039175
C 0.831791 0.068699 0.073656
C -3.517793 0.344455 0.292850
C 1.569891 -1.129390 0.292099
C 1.578908 1.264723 -0.152262
C 2.975983 -1.141030 0.287358
C 2.978564 1.267308 -0.156652
C 3.709802 0.059154 0.063651
H -0.918207 -1.850319 0.985697
H -2.625951 -0.490799 2.042177
H -3.495226 -1.668465 1.026008
H -2.272069 -2.852043 -0.868860
H -2.276596 -1.292589 -1.744958
H -0.743516 -2.179572 -1.520451
H -3.031102 2.127781 -0.663482
H 1.049409 -2.077443 0.465314
H 1.024897 2.192519 -0.322609
H 3.513883 -2.081692 0.457636
H 3.522710 2.204300 -0.329293
H 5.621688 0.918594 -0.100842
H 5.626535 -0.795318 0.219282


