%chk=000096366.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096366

0 1
 S  -0.8307000       1.826500      0.3913000    
 S    1.205000      3.7300002E-02   1.576700    
 O  -0.7766000       2.650700       1.583600    
 O   -1.100900       2.428500     -0.9004000    
 N   -1.920200      0.5478000      0.6368000    
 N    1.476400       1.013600     -0.7950000    
 C   -2.054300     -0.4996000     -0.3781000    
 C   -2.411000      -1.837500      0.2833000    
 C   -3.119200     -0.1057000      -1.410400    
 C   -3.826500      -1.854800      0.8620000    
 C   -4.536300     -0.1187000     -0.8353000    
 C   -4.865600      -1.459100     -0.1838000    
 C   0.7099000      0.9715000      0.2493000    
 C    2.625300     -0.3927000      0.6987000    
 C    2.593800      0.2278000     -0.5537000    
 C    3.690600      -1.219500       1.090100    
 C    3.667900      1.1500000E-02  -1.444200    
 C    4.740800      -1.417000      0.1901000    
 C    4.731600     -0.8105000      -1.061000    
 H   -1.100600     -0.6356000     -0.8991000    
 H   -1.693500      -2.068000       1.080000    
 H   -2.324800      -2.638100     -0.4626000    
 H   -3.076000     -0.8152000      -2.247000    
 H   -2.915000      0.8828000      -1.833900    
 H   -3.889800      -1.174200       1.719200    
 H   -4.053300      -2.857900       1.240900    
 H   -5.256500      8.3800003E-02  -1.636400    
 H   -4.650500      0.6866000     -0.1003000    
 H   -4.915100      -2.235500     -0.9572000    
 H   -5.856800      -1.409800      0.2810000    
 H   -2.765400      0.7482000       1.185300    
 H    3.704400      -1.696300       2.065400    
 H    3.670900      0.4803000      -2.424100    
 H    5.575100      -2.053500      0.4733000    
 H    5.557200     -0.9757000      -1.747800    


%chk=000096366-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096366

0 1
S -0.702727 1.560603 -0.092289
S 1.968873 1.221311 1.629210
O -0.885841 2.546634 1.193534
O -0.884046 2.065259 -1.626255
N -1.722875 0.026802 0.219497
N 1.597694 0.079944 -0.794045
C -2.532950 -0.426783 -0.958994
C -2.843171 -1.933323 -0.739253
C -3.837451 0.386564 -1.177918
C -3.880486 -2.163974 0.386041
C -4.869548 0.153964 -0.047936
C -5.175550 -1.352888 0.135380
C 1.039748 0.838152 0.099409
C 3.285299 0.189109 0.905430
C 2.888486 -0.316503 -0.379794
C 4.544833 -0.117964 1.456024
C 3.767364 -1.141307 -1.120153
C 5.409188 -0.943854 0.703629
C 5.025061 -1.449416 -0.569440
H -1.877985 -0.315096 -1.842586
H -1.901542 -2.468790 -0.523639
H -3.244984 -2.329860 -1.693764
H -4.278534 0.061971 -2.141846
H -3.591174 1.459354 -1.286732
H -3.442822 -1.874369 1.363499
H -4.113732 -3.243233 0.458015
H -5.797652 0.711904 -0.274541
H -4.493057 0.573167 0.910266
H -5.669911 -1.734867 -0.781867
H -5.888259 -1.500908 0.969273
H -2.302705 0.294484 1.040550
H 4.852854 0.265937 2.432907
H 3.454583 -1.517010 -2.098420
H 6.393682 -1.197320 1.110782
H 5.719638 -2.085692 -1.127275


