%chk=000070845.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070845

0 1
 S  -0.7729000      -2.229100      0.1826000    
 O   -1.674700      -3.159900     -0.4856000    
 O  -0.3558000      -2.514900       1.549900    
 O    4.043300       2.233100      0.3119000    
 N   0.6179000      -2.023700     -0.8134000    
 C   -1.514300     -0.6489000      0.1430000    
 C    1.501800     -0.9267000     -0.5238000    
 C   -2.455300     -0.3441000     -0.8405000    
 C   -1.165600      0.3087000       1.095300    
 C   -2.699000       1.876000      8.0600001E-02
 C   -3.047600      0.9184000     -0.8717000    
 C   -1.758000       1.571200       1.064200    
 C    2.120500     -0.8527000      0.7182000    
 C    1.726300      4.8000000E-02  -1.488700    
 C   -3.333200       3.225400      4.8300002E-02
 C    2.976600      0.2120000      0.9997000    
 C    2.582500       1.112500      -1.207200    
 C    3.207600       1.194600      3.7000000E-02
 H   0.4867000      -2.218100      -1.814700    
 H   -2.736900      -1.071500      -1.596500    
 H  -0.4438000      9.3599997E-02   1.877500    
 H   -3.779500       1.143900      -1.642700    
 H   -1.480900       2.307600       1.813900    
 H    1.981700      -1.619100       1.473800    
 H    1.242100     -5.9000002E-03  -2.459800    
 H   -2.650700       3.991700      0.4314000    
 H   -3.596400       3.514000     -0.9750000    
 H   -4.241900       3.228100      0.6582000    
 H    3.462400      0.2613000       1.970500    
 H    2.757800       1.875300      -1.960900    
 H    4.386200       2.130800       1.216400    


%chk=000070845-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070845

0 1
S -0.768830 -2.095168 0.268435
O -1.701847 -3.253770 -0.388826
O -0.149314 -2.192112 1.770118
O 4.637741 1.950258 0.495221
N 0.850931 -1.986582 -0.940468
C -1.721644 -0.463080 0.158965
C 1.763247 -0.965475 -0.577525
C -2.791763 -0.381182 -0.747578
C -1.320826 0.605339 0.979454
C -3.123679 1.956901 -0.029112
C -3.491436 0.843148 -0.830541
C -2.033657 1.819410 0.872053
C 2.586990 -1.183496 0.565719
C 1.912491 0.247868 -1.317089
C -3.900271 3.258512 -0.105775
C 3.538134 -0.222724 0.949799
C 2.887998 1.192546 -0.958631
C 3.695216 0.960804 0.182131
H 0.409717 -1.835578 -1.869615
H -3.081209 -1.253954 -1.342474
H -0.495839 0.482555 1.688221
H -4.337135 0.931490 -1.522131
H -1.740736 2.669074 1.499652
H 2.465192 -2.111777 1.129616
H 1.270088 0.435457 -2.186589
H -3.235520 4.134051 -0.001491
H -4.445063 3.352423 -1.060636
H -4.647862 3.317319 0.708706
H 4.166130 -0.399801 1.832333
H 3.032256 2.113053 -1.531259
H 5.157401 1.706090 1.301215


