%chk=000089415.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089415

0 1
 S   -3.243400       1.594700     -7.0500001E-02
 S    1.315500      -1.670000     -2.0400001E-02
 S    4.198000      -2.529100     -6.9100000E-02
 O    2.026000       2.070100     -0.2817000    
 N   -3.894200     -0.9584000      0.1231000    
 N    3.226700      5.0600000E-02 -0.1980000    
 C   -5.179500     -0.2827000     -6.0400002E-02
 C   -2.798400     -0.1111000      2.9999999E-02
 C   -4.981400       1.185700      0.3375000    
 C   -1.500200     -0.4475000      4.3000001E-03
 C  -0.3733000      0.4664000     -9.3999997E-02
 C   0.8816000     -1.3200000E-02 -0.1091000    
 C   -3.859300      -2.406400      9.1300003E-02
 C    2.082400      0.8496000     -0.2069000    
 C    4.562800      0.6340000     -0.2837000    
 C  -0.6261000       1.946400     -0.1780000    
 C    3.041100      -1.323700     -0.1041000    
 C    5.121500      0.9446000       1.089600    
 H   -5.481900     -0.3543000      -1.112500    
 H   -5.967400     -0.7375000      0.5501000    
 H   -5.113200       1.309200       1.417600    
 H   -5.679200       1.848500     -0.1812000    
 H   -1.293800      -1.511300      6.4599998E-02
 H   -4.842800      -2.832400      0.3163000    
 H   -3.158400      -2.797000      0.8363000    
 H   -3.555700      -2.759900     -0.8994000    
 H    4.492600       1.568000     -0.8533000    
 H    5.242800     -2.3900000E-02 -0.8324000    
 H   -1.130400       2.202400      -1.116700    
 H   0.1977000       2.640800     -0.2430000    
 H   -1.073300       2.317100      0.7515000    
 H    6.112600       1.400700       1.002800    
 H    5.215300      4.2399999E-02   1.701700    
 H    4.472700       1.643000       1.628900    


%chk=000089415-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089415

0 1
S -3.707199 1.763098 -0.138490
S 1.180671 -1.627569 -0.053489
S 4.101024 -2.653312 -0.155169
O 2.359321 2.156781 -0.278772
N -3.894722 -0.871013 0.182430
N 3.253534 -0.021472 -0.233357
C -5.278536 -0.462954 -0.149159
C -2.917265 0.108479 0.025635
C -5.405229 1.009851 0.265663
C -1.553867 -0.165844 -0.014272
C -0.425033 0.728350 -0.093638
C 0.867893 0.191257 -0.124068
C -3.554486 -2.297005 0.275703
C 2.144793 0.905817 -0.215490
C 4.636212 0.510462 -0.300540
C -0.626139 2.233339 -0.151690
C 2.990401 -1.377648 -0.155173
C 5.247227 0.700610 1.101205
H -5.475089 -0.580981 -1.236607
H -5.993912 -1.094343 0.406725
H -5.582118 1.125186 1.345639
H -6.165213 1.552432 -0.314367
H -1.308229 -1.234990 0.003452
H -4.462919 -2.867341 0.527677
H -2.812520 -2.462850 1.076702
H -3.139463 -2.694131 -0.673407
H 4.569300 1.476148 -0.829395
H 5.231953 -0.204729 -0.893114
H -1.200957 2.512588 -1.055822
H 0.336906 2.761521 -0.178704
H -1.202162 2.581886 0.725844
H 6.273965 1.098009 1.007290
H 5.296596 -0.261469 1.639181
H 4.652663 1.417638 1.692778


