%chk=000102511.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102511

0 1
 S    3.898500      0.1803000       1.012900    
 S    5.209600       1.251900     -0.2202000    
 O    6.542500       1.455700      0.6958000    
 O    5.560200      0.3906000      -1.333000    
 O    4.620900       2.557600     -0.4480000    
 N   0.1884000     -0.9416000     -0.1789000    
 C  -0.8715000      -1.681200      0.5093000    
 C   -2.241900      -1.398300     -0.1403000    
 C   -2.875900     -7.7699997E-02  0.3140000    
 C   -4.267300      0.1630000     -0.2827000    
 C  -0.5831000      -3.194400      0.4785000    
 C   -4.991600       1.422400      0.2025000    
 C    1.350000     -0.7891000      0.6823000    
 C  -0.5437000      -3.785500     -0.9253000    
 C   -6.397400       1.578000     -0.3780000    
 C    2.439900     -1.7300000E-02 -5.1199999E-02
 C   -7.037500       2.885600      6.2500000E-02
 H  -0.9348000      -1.371600       1.561200    
 H   -2.160300      -1.401800      -1.235100    
 H   -2.939500      -2.205200      0.1203000    
 H   -2.957000     -7.6200001E-02   1.407900    
 H   -2.224500      0.7615000      4.3600000E-02
 H   -4.898100     -0.7064000     -5.6800000E-02
 H   -4.179000      0.2043000      -1.375700    
 H   0.3595000      -3.423200      0.9877000    
 H   -1.359800      -3.716900       1.051900    
 H  -0.1492000     -1.7000001E-02 -0.4441000    
 H   -4.387200       2.298900     -6.1900001E-02
 H   -5.054100       1.400800       1.297500    
 H    1.070800     -0.2486000       1.596000    
 H    1.748300      -1.766500      0.9754000    
 H  -0.3091000      -4.853800     -0.8688000    
 H   -1.506700      -3.691400      -1.435300    
 H   0.2257000      -3.311900      -1.542600    
 H   -6.351600       1.552300      -1.472900    
 H   -7.025700      0.7385000     -5.9200000E-02
 H    2.082300      0.9771000     -0.3394000    
 H    2.740600     -0.5472000     -0.9615000    
 H   -7.122100       2.932800       1.152900    
 H   -8.042700       2.976600     -0.3607000    
 H   -6.448400       3.744500     -0.2745000    
 H    7.278700       1.950700      0.2654000    


%chk=000102511-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102511

0 1
S 3.500217 1.371609 1.409947
S 4.939907 1.147032 -0.622288
O 5.756908 -0.463161 -0.156816
O 3.929487 0.853500 -1.863268
O 6.123076 2.232934 -0.829038
N 0.115117 -0.653611 0.197415
C -0.818506 -1.668361 0.733904
C -2.210989 -1.485672 0.082155
C -2.919225 -0.172996 0.484830
C -4.266759 0.030645 -0.242715
C -0.278460 -3.131113 0.601679
C -4.983649 1.341080 0.154358
C 1.419452 -0.458547 0.830765
C -0.081582 -3.615660 -0.851188
C -6.325323 1.551080 -0.584099
C 1.915981 0.968842 0.509672
C -7.033311 2.864070 -0.185350
H -0.916921 -1.457449 1.820697
H -2.109169 -1.522130 -1.023157
H -2.844918 -2.350988 0.361498
H -3.089912 -0.171200 1.581834
H -2.245590 0.680773 0.273084
H -4.935570 -0.830549 -0.032197
H -4.094190 0.027776 -1.339759
H 0.684631 -3.201363 1.145523
H -0.984841 -3.803833 1.128118
H 0.119075 -0.578228 -0.826973
H -4.314477 2.202421 -0.052415
H -5.164965 1.345042 1.249671
H 1.290784 -0.576830 1.923610
H 2.202909 -1.184356 0.515561
H 0.333898 -4.639129 -0.866824
H -1.035387 -3.633881 -1.408191
H 0.624757 -2.966733 -1.402868
H -6.142938 1.545429 -1.678246
H -6.994081 0.690776 -0.376327
H 1.167296 1.737406 0.775601
H 2.134359 1.059221 -0.576215
H -7.256227 2.881036 0.898321
H -7.987755 2.991891 -0.728438
H -6.396837 3.740977 -0.409458
H 6.629929 -0.497449 -0.650914


