%chk=000005207.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005207

0 1
 O  -0.9492000      0.8530000      -1.391200    
 N   -2.759000       1.686000     -0.2047000    
 N   -2.561600      -1.792400      0.3776000    
 N  -0.6835000       3.915600     -0.7372000    
 N    3.093100      0.3466000     -1.0100000E-02
 N   0.7099000      -3.823100      -1.630600    
 N    4.982000     -0.2940000      -1.190200    
 N    5.167900     -0.1821000       1.078600    
 C  -0.5905000       2.722800      0.1067000    
 C   0.8791000       2.306900      0.2673000    
 C   -4.335900     -6.4300001E-02  0.4258000    
 C   -3.726600      0.7466000     -0.7194000    
 C    1.026900       1.032400       1.110400    
 C   -3.292600     -0.8534000       1.219800    
 C   -1.427300       1.657100     -0.5931000    
 C   -1.569000      -2.522600       1.153500    
 C  -0.7803000      -3.509600      0.2902000    
 C    2.484100      0.6208000       1.292600    
 C  -4.6000001E-03  -2.828100     -0.8385000    
 C    4.337300     -1.8100001E-02 -7.4999998E-03
 H   -1.014100       2.940300       1.094300    
 H    1.440600       3.121000      0.7435000    
 H    1.328100       2.147100     -0.7214000    
 H   -5.089800     -0.7484000      1.7400000E-02
 H   -4.859800      0.6110000       1.114000    
 H   -3.279100      9.5399998E-02  -1.476600    
 H   -4.511100       1.333200      -1.208900    
 H   0.5771000       1.194700       2.097300    
 H   0.4858000      0.2019000      0.6456000    
 H   -2.598100     -0.1593000       1.708100    
 H   -3.813400      -1.398000       2.017300    
 H   -3.083100       2.410700      0.4291000    
 H   -2.058500      -3.083000       1.959400    
 H  -0.8647000      -1.822800       1.619500    
 H   -3.211600      -2.445600     -5.8400001E-02
 H   -1.468800      -4.254700     -0.1300000    
 H  -8.2699999E-02  -4.056500      0.9375000    
 H    2.514000     -0.2765000       1.922600    
 H    3.022600       1.425800       1.807300    
 H   -1.647200       4.248000     -0.7537000    
 H  -0.1323000       4.668100     -0.3261000    
 H  -0.6819000      -2.279800      -1.500900    
 H   0.7121000      -2.110900     -0.4244000    
 H    1.371000      -4.323400      -1.037800    
 H    1.265700      -3.351700      -2.343100    
 H    5.954800     -0.5796000      -1.210000    
 H    4.500100     -0.2175000      -2.079400    
 H    4.854000     -2.1199999E-02   2.028900    
 H    6.132000     -0.4742000      0.9597000    


%chk=000005207-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005207

0 1
O -1.577255 1.062041 -1.963785
N -2.502509 1.532589 0.122999
N -1.958642 -2.062528 0.671191
N -0.420918 3.567635 -1.979872
N 2.094217 -0.065391 1.240004
N 0.106833 -2.823899 -3.097505
N 3.375587 -1.850109 0.409110
N 4.449641 -0.296837 1.803411
C -0.583025 2.899272 -0.675704
C 0.751842 2.321299 -0.095163
C -3.597206 -0.334103 1.408567
C -3.508500 0.455326 0.084429
C 0.706855 1.963814 1.404817
C -2.310829 -1.121921 1.747150
C -1.601137 1.755825 -0.897546
C -0.592595 -2.631741 0.703570
C -0.229023 -3.256696 -0.662569
C 1.997660 1.260722 1.882299
C -0.069931 -2.194635 -1.771389
C 3.251507 -0.683347 1.179187
H -0.995743 3.621501 0.062817
H 1.540315 3.087561 -0.255783
H 1.041260 1.426010 -0.677235
H -4.450839 -1.037594 1.321326
H -3.840260 0.343763 2.253828
H -3.204618 -0.222047 -0.730211
H -4.501966 0.879474 -0.167729
H 0.542962 2.880964 2.009231
H -0.136673 1.276270 1.603801
H -1.466707 -0.414357 1.853455
H -2.444122 -1.607406 2.747677
H -2.508391 2.181162 0.913079
H -0.463065 -3.397997 1.509077
H 0.110460 -1.805357 0.930748
H -2.676741 -2.785931 0.527473
H -1.010054 -3.975307 -0.981990
H 0.709175 -3.844796 -0.553227
H 1.953281 1.157099 2.990863
H 2.873519 1.918461 1.651964
H -0.537331 2.899500 -2.752972
H 0.438125 4.120785 -2.056157
H -0.982015 -1.575081 -1.796927
H 0.759733 -1.498350 -1.486197
H 0.997119 -3.320021 -3.213620
H -0.077809 -2.190492 -3.881333
H 3.981796 -2.602085 0.733982
H 2.541919 -2.106528 -0.119880
H 4.440481 0.474790 2.464015
H 5.345517 -0.587103 1.417521


