%chk=000085255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085255

0 1
 S    4.596200     -0.6436000     -0.1072000    
 O   -6.252100      -1.591100     -0.1283000    
 O    5.935500      0.1333000      0.4061000    
 O    4.624000     -0.7129000      -1.557000    
 O    4.406600      -1.831700      0.7055000    
 N  -0.3238000      0.9424000     -0.1679000    
 N   -3.128900      0.3391000      0.1871000    
 C  -0.7636000     -0.3539000      0.3626000    
 C   -1.292200       1.991600      0.1738000    
 C   -2.161100     -0.7103000     -0.1554000    
 C   -2.689300       1.634600     -0.3454000    
 C    1.007500       1.282700      0.3303000    
 C    2.024200      0.2348000     -0.1158000    
 C   -4.460800     -1.1000000E-03 -0.3091000    
 C    3.419800      0.5760000      0.3854000    
 C   -4.941800      -1.290100      0.3352000    
 H  -0.1201000      -1.171700      2.6799999E-02
 H  -0.7613000     -0.3536000       1.461000    
 H   -1.331700       2.149800       1.260100    
 H  -0.9878000       2.940900     -0.2834000    
 H   -2.125700     -0.8762000      -1.240700    
 H   -2.410100      -1.663400      0.3196000    
 H   -3.385100       2.421200     -2.9100001E-02
 H   -2.683800       1.625400      -1.443900    
 H    1.011400       1.369200       1.424800    
 H    1.312000       2.256400     -7.3700003E-02
 H    2.025700      0.1535000      -1.209900    
 H    1.791500     -0.7577000      0.2805000    
 H   -4.477800     -9.6500002E-02  -1.402900    
 H   -5.174100      0.7960000     -6.2199999E-02
 H    3.444800      0.6382000       1.478000    
 H    3.746500       1.534000     -3.2800000E-02
 H   -4.983700      -1.199300       1.425600    
 H   -4.335400      -2.162400      8.3200000E-02
 H   -6.206400      -1.691500      -1.094600    
 H    6.197700      0.9225000     -0.1238000    


%chk=000085255-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085255

0 1
S 4.856226 -0.326449 -0.392825
O -6.630816 -1.379933 0.041110
O 6.137690 0.332951 0.796276
O 5.269555 0.070457 -1.906136
O 4.519846 -1.869913 -0.042787
N -0.344661 0.840072 -0.065742
N -3.182620 0.226418 0.050346
C -0.830269 -0.468635 0.442401
C -1.358138 1.897899 0.189456
C -2.175127 -0.831638 -0.208198
C -2.696866 1.528187 -0.469258
C 0.989982 1.210217 0.453476
C 2.112804 0.352902 -0.188381
C -4.537195 -0.122565 -0.434253
C 3.479213 0.833998 0.293547
C -5.269572 -1.089727 0.519221
H -0.095201 -1.255363 0.196387
H -0.958620 -0.447134 1.554172
H -1.528676 2.047367 1.285180
H -0.990562 2.850058 -0.237002
H -2.014233 -0.977915 -1.306772
H -2.530822 -1.788015 0.214960
H -3.445667 2.306606 -0.233585
H -2.554541 1.504998 -1.579200
H 1.048304 1.123571 1.570180
H 1.163186 2.274713 0.202250
H 2.027689 0.434575 -1.286763
H 1.983595 -0.710456 0.083557
H -4.512340 -0.564862 -1.466474
H -5.139879 0.802007 -0.498581
H 3.625734 0.759399 1.382959
H 3.785876 1.822249 -0.083514
H -5.406757 -0.613259 1.501802
H -4.694537 -2.028811 0.661496
H -6.573574 -1.828609 -0.840571
H 7.017772 -0.080760 0.563764


