%chk=000170134.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170134

0 1
 O   -3.056100      0.4881000       1.460700    
 O   -1.520200      -2.136400     -0.5682000    
 O   -3.587400      -1.410600      -2.276300    
 O   0.2352000      -1.710700       1.892300    
 N  -0.9099000      0.5081000      0.4716000    
 N   0.9429000       2.042200     -0.8666000    
 N    2.692700      0.3741000     -0.3890000    
 N    2.070300      -1.728700      0.5453000    
 N    4.127800      -1.507900     -0.4966000    
 C   -1.263700       1.916800      0.1920000    
 C  -0.4484000       2.423900      -1.003500    
 C   -1.995800     -0.3275000      0.9738000    
 C   0.4259000      9.0400003E-02  0.3392000    
 C    1.366000      0.8408000     -0.2985000    
 C   -2.546300      -1.246100     -0.1204000    
 C   -1.037300       2.766000       1.445300    
 C   0.8882000      -1.185500      0.9966000    
 C   -3.073900     -0.4794000      -1.328800    
 C    2.932200     -0.9689000     -8.1900001E-02
 C    3.757700       1.251600     -0.8870000    
 H   -2.316000       2.018800     -9.9399999E-02
 H  -0.8341000       1.983900      -1.930500    
 H  -0.5295000       3.511600      -1.103400    
 H   -1.701100     -0.9085000       1.843900    
 H    1.626300       2.554900      -1.411900    
 H   -3.358500      -1.865200      0.2802000    
 H   -1.636800       2.413300       2.290000    
 H   1.0400000E-02   2.749500       1.764700    
 H   -1.311700       3.809100       1.255900    
 H   -3.871200      0.2208000      -1.063600    
 H   -2.276300      6.2100001E-02  -1.842900    
 H   -3.760800     -0.1002000       1.781300    
 H    3.568000       2.302100     -0.6414000    
 H    3.852100       1.154300      -1.973200    
 H    4.720700       1.015400     -0.4213000    
 H   -1.273300      -2.695500      0.1882000    
 H    4.348100      -2.478700     -0.3007000    
 H    4.784900      -1.005300      -1.081400    
 H   -4.323300      -1.883900      -1.852100    


%chk=000170134-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170134

0 1
O -2.805245 0.547477 1.780192
O -2.179698 -2.248703 -0.672616
O -4.272384 -1.227930 -2.018101
O 0.000676 -2.410255 0.778047
N -0.912926 0.398039 0.372756
N 1.006917 1.977849 -0.997272
N 2.734439 0.413098 -0.426315
N 2.198325 -1.768308 0.405226
N 4.440782 -1.202562 0.037351
C -1.176711 1.836829 0.104512
C -0.432226 2.233711 -1.191967
C -1.980492 -0.402673 0.995679
C 0.412241 -0.076151 0.211689
C 1.363640 0.763368 -0.406047
C -2.904107 -1.181692 0.008644
C -0.779740 2.745792 1.292809
C 0.837459 -1.458234 0.505043
C -3.538256 -0.341786 -1.114261
C 3.086463 -0.870645 0.000411
C 3.757679 1.434525 -0.729823
H -2.259848 1.944799 -0.070018
H -0.839658 1.649231 -2.043352
H -0.575151 3.308509 -1.398770
H -1.513577 -1.137852 1.670951
H 1.650235 2.405074 -1.663521
H -3.721876 -1.637004 0.620251
H -1.345239 2.439979 2.185661
H 0.300557 2.672815 1.507075
H -1.017169 3.802473 1.064619
H -4.270062 0.385345 -0.722576
H -2.734095 0.190610 -1.666692
H -3.586089 0.049276 2.130783
H 3.391176 2.428320 -0.423838
H 4.028631 1.458599 -1.803148
H 4.659563 1.221174 -0.133644
H -1.342220 -2.485598 -0.134222
H 4.614787 -2.137536 0.405978
H 5.102002 -0.838674 -0.645934
H -3.681001 -2.022487 -2.133163


