%chk=000013487.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013487

1 1
 S   -2.703000       1.338900      0.7317000    
 S    2.418700       1.385500     -0.1166000    
 N   -3.568700     -0.8213000     -0.2033000    
 N    3.691600     -0.9378000      0.2739000    
 C   -4.662100      1.4900000E-02 -0.2047000    
 C    4.701600      2.4599999E-02  8.2000002E-02
 C   -2.483700     -0.2725000      0.2540000    
 C    2.416400     -0.3746000      0.1971000    
 C   -3.633100      -2.189900     -0.6721000    
 C    4.044800      -2.323700      0.5131000    
 C   -4.371200       1.280900      0.2882000    
 C    4.209300       1.330300     -0.1413000    
 C   -1.212700     -0.9259000      0.3626000    
 C    1.229600     -0.9880000      0.3284000    
 C   -5.954800     -0.3089000     -0.6406000    
 C    6.077700     -0.1829000      9.1799997E-02
 C   -5.358400       2.273400      0.3655000    
 C    5.054500       2.411400     -0.3502000    
 C  -3.4299999E-02 -0.2961000      0.2285000    
 C   -3.990700      -3.102800      0.4837000    
 C    4.351500      -3.049500     -0.7807000    
 C   -6.942600      0.6779000     -0.5653000    
 C    6.937600      0.9006000     -0.1182000    
 C   -6.647900       1.947900     -7.0200004E-02
 C    6.429900       2.187500     -0.3373000    
 H   -4.362900      -2.289900      -1.481700    
 H   -2.680300      -2.494100      -1.119800    
 H    4.891100      -2.405500       1.205800    
 H    3.224400      -2.845700       1.019300    
 H   -1.212000      -1.996900      0.5479000    
 H    1.189200      -2.057300      0.5160000    
 H   -6.221600      -1.288500      -1.022600    
 H    6.511900      -1.163100      0.2580000    
 H   -5.137100       3.263900      0.7497000    
 H    4.665400       3.409900     -0.5206000    
 H  -5.2700002E-02  0.7648000      1.4000000E-02
 H   -4.968100      -2.845200      0.9041000    
 H   -4.032500      -4.142700      0.1452000    
 H   -3.257400      -3.039600       1.293200    
 H    5.201100      -2.607700      -1.309600    
 H    4.590400      -4.098500     -0.5790000    
 H    3.490700      -3.023400      -1.457500    
 H   -7.953100      0.4509000     -0.8950000    
 H    8.012900      0.7425000     -0.1112000    
 H   -7.432400       2.698800     -2.0700000E-02
 H    7.114300       3.015900     -0.4984000    


%chk=000013487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013487

1 1
S -2.651618 1.486104 -0.116598
S 2.648506 1.579885 0.068008
N -3.685197 -0.946545 -0.280486
N 3.768754 -0.817788 0.164950
C -4.814333 -0.084169 -0.275267
C 4.866149 0.084215 0.183537
C -2.456699 -0.320481 -0.178207
C 2.518344 -0.233608 0.080241
C -3.834947 -2.426453 -0.339547
C 3.971009 -2.292391 0.186120
C -4.457871 1.288308 -0.205055
C 4.461133 1.444488 0.151911
C -1.201710 -0.961659 -0.121902
C 1.287535 -0.918086 0.006199
C -6.175650 -0.458203 -0.335380
C 6.239859 -0.243110 0.233410
C -5.422500 2.307979 -0.203090
C 5.389108 2.497268 0.179290
C 0.030858 -0.284114 -0.047608
C -3.961919 -3.063058 1.058876
C 4.118494 -2.889054 -1.227863
C -7.150459 0.561630 -0.332747
C 7.178059 0.810115 0.260257
C -6.783529 1.929544 -0.269487
C 6.762804 2.165340 0.235609
H -4.725732 -2.641019 -0.953198
H -2.972956 -2.838580 -0.889619
H 4.869746 -2.490731 0.793588
H 3.125006 -2.748612 0.726191
H -1.187081 -2.057205 -0.126918
H 1.312746 -2.013094 -0.021005
H -6.481118 -1.507295 -0.377965
H 6.581995 -1.281611 0.245849
H -5.137235 3.362497 -0.151084
H 5.066906 3.542160 0.157200
H 0.010720 0.817014 -0.030073
H -4.838729 -2.669057 1.600514
H -4.084113 -4.155770 0.959733
H -3.065118 -2.870624 1.672710
H 4.981267 -2.452698 -1.759537
H 4.277367 -3.979182 -1.155933
H 3.215445 -2.711732 -1.837085
H -8.208887 0.287923 -0.378496
H 8.245535 0.572875 0.298602
H -7.557797 2.702289 -0.268842
H 7.509155 2.964798 0.257292


