%chk=000018466.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018466

0 1
 S    1.613000      -1.655800     -0.3092000    
 O    1.707600      -2.343100      0.9643000    
 O    2.350500      -2.137200      -1.461100    
 O  -0.9488000      -1.302700       1.411000    
 N   -2.343000      -1.185500     -0.4304000    
 N  -3.3000000E-02  -1.469200     -0.7312000    
 C   -3.905600      0.4529000      0.5375000    
 C   -3.576300      -1.015000      0.2868000    
 C   -4.076600       1.246800     -0.7596000    
 C    2.092000      2.7600000E-02 -6.2600002E-02
 C   -4.463100       2.690800     -0.4797000    
 C   -1.113500      -1.317200      0.1949000    
 C    1.967100      0.5885000       1.196800    
 C    2.583100      0.7545000      -1.133500    
 C    2.344600       1.917200       1.391300    
 C    2.960600       2.083100     -0.9389000    
 C    2.841400       2.664400      0.3235000    
 H   -3.112200      0.9112000       1.141000    
 H   -4.829700      0.5099000       1.125100    
 H   -4.366500      -1.488300     -0.3057000    
 H   -3.511500      -1.545300       1.243200    
 H   -4.850900      0.7818000      -1.380800    
 H   -3.146100       1.237400      -1.338200    
 H   -2.374100      -1.204900      -1.445100    
 H   -3.694100       3.194200      0.1149000    
 H   -4.580600       3.240500      -1.418700    
 H   -5.410500       2.744800      6.6299997E-02
 H  -0.2645000      -1.509800      -1.731700    
 H    1.579200      2.4900001E-02   2.039600    
 H    2.676100      0.3235000      -2.125500    
 H    2.250600       2.370400       2.373800    
 H    3.345600       2.665900      -1.770700    
 H    3.134600       3.699100      0.4747000    


%chk=000018466-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018466

0 1
S 1.632314 -1.538256 -0.696438
O 1.797720 -2.694392 0.419037
O 2.127049 -1.777672 -2.229055
O -0.631243 -0.645074 1.240260
N -2.386146 -1.006336 -0.272344
N -0.152504 -1.161255 -0.992042
C -4.033362 0.755009 0.494767
C -3.446935 -0.661596 0.694124
C -4.761776 0.952193 -0.854116
C 2.367084 0.084724 -0.066983
C -5.373130 2.362652 -0.998705
C -1.045297 -0.929128 0.076502
C 2.269537 0.383886 1.300198
C 3.031877 0.876561 -1.016532
C 2.888099 1.577810 1.738474
C 3.639980 2.065995 -0.552046
C 3.566201 2.412385 0.817974
H -3.217640 1.497522 0.595005
H -4.744481 0.949209 1.323737
H -4.249980 -1.420480 0.615802
H -2.992988 -0.745731 1.696144
H -5.562289 0.189577 -0.952955
H -4.051730 0.778228 -1.688793
H -2.654542 -1.246075 -1.226888
H -4.590064 3.141200 -0.935507
H -5.892203 2.481991 -1.967195
H -6.106972 2.559653 -0.194730
H -0.433362 -1.476899 -1.928491
H 1.719289 -0.273233 1.978193
H 3.084817 0.563063 -2.064028
H 2.834132 1.853360 2.796500
H 4.171795 2.712366 -1.257722
H 4.042149 3.334143 1.169951


