%chk=000147923.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147923

0 1
 O   -1.487300      -2.473400      0.8297000    
 O    1.552300      -2.493400     -0.8084000    
 N   -1.010500     -0.2672000       2.509600    
 N    1.116600     -0.3444000      -2.571400    
 N   -4.862000       2.549200      -1.370500    
 N    4.746100       2.646300       1.391300    
 N   -3.788400       3.460100      0.4946000    
 N    3.742900       3.485400     -0.5454000    
 C   1.5000000E-02  -4.151000      2.1299999E-02
 C   -1.208800      -3.304800     -0.2883000    
 C    1.237200      -3.297100      0.3207000    
 C   -2.094900      -1.272000      0.5713000    
 C    2.128800      -1.275300     -0.5585000    
 C   -1.868100     -0.1723000       1.391700    
 C    1.921700     -0.2031000      -1.420000    
 C   -2.943000      -1.172400     -0.5268000    
 C    2.925200      -1.129900      0.5727000    
 C   -3.348100       1.147700      1.1700000E-02
 C    3.317700       1.180400     -1.5000000E-02
 C   -2.496500       1.041100       1.111200    
 C    2.517900       1.028100      -1.147600    
 C   -3.571300      4.0800001E-02 -0.8073000    
 C    3.521400      0.1013000      0.8451000    
 C   -4.004700       2.412200     -0.2803000    
 C    3.940700       2.463700      0.2686000    
 H   0.2183000      -4.801300     -0.8371000    
 H  -0.1870000      -4.788800      0.8897000    
 H   -1.007400      -2.726400      -1.199100    
 H   -2.066700      -3.963300     -0.4672000    
 H    2.089000      -3.954100      0.5325000    
 H    1.025300      -2.699300       1.216300    
 H   -3.170800      -2.015500      -1.171900    
 H    3.139700      -1.950600       1.250300    
 H   -2.309500       1.891800       1.762300    
 H    2.346900       1.856600      -1.830900    
 H   -4.228700      6.7199998E-02  -1.669400    
 H    4.139600      0.1633000       1.733900    
 H  -0.8447000      0.5418000       3.093300    
 H  -0.5420000      -1.140900       2.709800    
 H   0.9646000      0.4445000      -3.185400    
 H   0.6709000      -1.231300      -2.766200    
 H   -5.081600       1.799300      -2.014100    
 H   -5.309700       3.440200      -1.558700    
 H    4.947400       1.919200       2.066300    
 H    5.170400       3.549900       1.573300    
 H   -4.333100       4.249100      0.1289000    
 H    4.258200       4.293500     -0.1791000    


%chk=000147923-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147923

0 1
O -1.746959 -1.837558 0.714723
O 1.762726 -1.824382 -0.688054
N -2.754453 -0.715142 2.927735
N 2.758646 -0.721975 -2.916609
N -6.393007 2.438659 -0.886484
N 6.356030 2.529814 0.854120
N -6.855903 1.997688 1.447689
N 6.826135 2.060836 -1.473146
C 0.017723 -3.331209 0.024149
C -1.169328 -2.499497 -0.467783
C 1.193426 -2.476657 0.503845
C -2.836075 -0.961670 0.509658
C 2.841145 -0.932626 -0.495132
C -3.348013 -0.378198 1.714782
C 3.347084 -0.360565 -1.708226
C -3.414907 -0.662160 -0.736544
C 3.415205 -0.607985 0.746997
C -5.014495 0.838037 0.363373
C 4.997750 0.895039 -0.373463
C -4.435456 0.518234 1.615862
C 4.423693 0.550127 -1.621569
C -4.504086 0.238836 -0.815081
C 4.493474 0.307003 0.813211
C -6.159368 1.805245 0.341646
C 6.130996 1.876051 -0.364923
H 0.362433 -3.988898 -0.795956
H -0.318314 -3.981378 0.853791
H -0.836421 -1.735831 -1.198260
H -1.938730 -3.144577 -0.938051
H 1.971227 -3.104496 0.983539
H 0.850180 -1.706878 1.223015
H -3.037360 -1.128117 -1.651539
H 3.042405 -1.064966 1.668437
H -4.869298 0.980582 2.508834
H 4.852728 1.004634 -2.520867
H -4.974734 0.413846 -1.788426
H 4.961175 0.501744 1.784215
H -3.105961 -0.334485 3.800058
H -1.986033 -1.378883 2.935812
H 3.106069 -0.349353 -3.794023
H 1.997513 -1.394109 -2.915660
H -5.715586 2.384577 -1.643521
H -7.183688 3.070142 -0.993696
H 5.678649 2.478605 1.611394
H 7.139322 3.171787 0.952946
H -7.602882 2.715730 1.342008
H 7.564325 2.789277 -1.377326


