%chk=000004083.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004083

-1 1
 S    2.577300      0.8055000       1.798600    
 O    2.052500       1.439500      -2.504600    
 O    3.036900      -2.317900      0.8069000    
 O    4.329900      -2.536200      -1.067900    
 O   -1.516600       1.684700       1.467700    
 N    2.182200     -1.9700000E-02 -0.6562000    
 N  -0.6652000       1.232500     -0.6420000    
 N   -3.988500       2.059100      0.3788000    
 C    1.370200      0.2999000      0.5167000    
 C    4.064400      0.4559000      0.7341000    
 C    3.565200     -0.4015000     -0.4551000    
 C   0.7476000       1.437700     -0.3100000    
 C    1.717100       1.003400      -1.427000    
 C    4.610100       1.809500      0.2474000    
 C    5.135200     -0.2273000       1.592500    
 C    3.651600      -1.900100     -0.2133000    
 C   -1.693600       1.375900      0.2906000    
 C   -3.073600       1.128700     -0.2987000    
 C   -3.484000     -0.3164000     -0.1341000    
 C   -3.165900      -1.228600      -1.126700    
 C   -4.170800     -0.7002000       1.005900    
 C   -3.545100      -2.562400     -0.9750000    
 C   -4.549800      -2.033900       1.157700    
 C   -4.949700       2.476800     -0.3532000    
 C   -4.237100      -2.965100      0.1672000    
 H   0.7049000     -0.5195000      0.8057000    
 H    4.127900     -0.1496000      -1.363300    
 H   0.9383000       2.457600      4.2100001E-02
 H    5.485400       1.660100     -0.3959000    
 H    3.875400       2.377100     -0.3329000    
 H    4.929200       2.442000       1.084600    
 H    5.984900     -0.5374000      0.9732000    
 H    5.528600      0.4574000       2.354100    
 H    4.770600      -1.110000       2.126400    
 H  -0.9196000      0.9719000      -1.591900    
 H   -3.032600       1.372200      -1.370600    
 H   -2.627200     -0.9261000      -2.019900    
 H   -4.414100      1.1000000E-03   1.798300    
 H   -3.301200      -3.287500      -1.746000    
 H   -5.085600      -2.348500       2.048500    
 H   -5.687600       3.180300      6.3199997E-02
 H   -5.104600       2.173100      -1.402600    
 H   -4.531500      -4.003700      0.2858000    


%chk=000004083-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004083

-1 1
S 3.008084 -0.398507 1.601571
O 1.471748 3.086949 -0.932766
O 3.408102 -1.359692 -1.999965
O 5.474988 -0.314674 -2.396845
O -1.995892 0.990076 1.565694
N 2.510974 0.893382 -0.681902
N -0.641173 0.570582 -0.293007
N -3.792461 1.574164 -0.845785
C 1.810980 -0.107520 0.141905
C 4.493768 0.469930 0.634964
C 3.951709 0.736369 -0.837464
C 0.634019 0.922863 0.312366
C 1.554929 1.902561 -0.531997
C 4.784033 1.808640 1.349737
C 5.709580 -0.470277 0.669318
C 4.305752 -0.434258 -1.857411
C -1.857306 0.651640 0.357319
C -3.071401 0.298110 -0.568595
C -4.007215 -0.698967 0.101731
C -4.059965 -2.039407 -0.349604
C -4.812552 -0.298455 1.197276
C -4.906795 -2.976790 0.285410
C -5.659523 -1.234683 1.828973
C -3.693265 2.078977 -2.036925
C -5.710704 -2.575136 1.376733
H 1.626409 -1.061564 -0.368884
H 4.401845 1.671536 -1.213232
H 0.457764 1.256266 1.345900
H 5.670783 2.290303 0.890789
H 3.926816 2.500203 1.266423
H 4.992448 1.649630 2.423476
H 6.509303 -0.059781 0.026041
H 6.084690 -0.582911 1.704252
H 5.446611 -1.461874 0.268498
H -0.623296 0.291034 -1.276481
H -2.669039 -0.157236 -1.505869
H -3.435267 -2.354056 -1.195437
H -4.755616 0.737785 1.540370
H -4.937085 -4.013438 -0.069674
H -6.277354 -0.921117 2.678646
H -4.206179 3.027726 -2.250295
H -3.113567 1.621649 -2.867917
H -6.368179 -3.299732 1.871760


