%chk=000004343.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004343

0 1
 S   -1.862300       1.849300      0.3146000    
 O   -1.978200       2.501900     -0.9756000    
 O   -2.704200       2.264100       1.420300    
 O    2.714800       2.804700      0.3100000    
 N  -0.2412000       1.879400      0.8195000    
 N    1.269700       3.309300      -1.403300    
 N    5.131800      -3.231500      0.3937000    
 C    1.537900      0.2042000      0.6528000    
 C   0.8185000       1.344700     -6.8999998E-02
 C    2.682100     -0.3741000     -0.1857000    
 C    3.341000      -1.562700      0.5182000    
 C    1.712800       2.539000     -0.3497000    
 C    4.505100      -2.114400     -0.3030000    
 C   -2.138500      0.1194000      7.7299997E-02
 C   -2.600200     -0.6428000       1.136300    
 C   -1.887900     -0.4405000      -1.163300    
 C   -2.571200      -2.589000     -0.2949000    
 C   -2.818400      -2.007800      0.9487000    
 C   -2.106000      -1.805400      -1.351000    
 C   -2.805700      -4.048000     -0.4959000    
 H   0.8184000     -0.5901000      0.8872000    
 H    1.937400      0.5529000       1.614200    
 H   0.4171000      0.9892000      -1.020900    
 H    3.440700      0.3918000     -0.3800000    
 H    2.294200     -0.6981000      -1.159300    
 H    2.594000      -2.349300      0.6835000    
 H    3.700400      -1.245900       1.505500    
 H  -4.9000001E-03   2.021900       1.809000    
 H    5.255300      -1.335200     -0.4747000    
 H    4.153700      -2.454500      -1.282900    
 H   -2.790300     -0.2112000       2.114000    
 H   -1.532800      0.1511000      -2.001200    
 H    1.775200       4.141300      -1.689200    
 H   0.4298000       3.084100      -1.926700    
 H   -3.177500      -2.608600       1.780200    
 H   -1.909600      -2.246800      -2.324500    
 H    5.453700      -2.925600       1.311300    
 H    4.438500      -3.958100      0.5689000    
 H   -1.894700      -4.609700     -0.2666000    
 H   -3.613500      -4.411100      0.1485000    
 H   -3.099700      -4.262200      -1.529100    


%chk=000004343-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004343

0 1
S -1.566215 1.206874 -0.132761
O -1.066344 1.497125 -1.675609
O -2.329050 2.338933 0.756556
O 2.499151 2.720386 1.066714
N -0.041746 0.619154 0.829777
N 1.205404 3.111178 -0.836702
N 6.978961 -2.162385 0.219974
C 2.292625 -0.130711 0.713225
C 1.247628 0.822134 0.090842
C 3.594195 -0.205182 -0.118894
C 4.630194 -1.166475 0.505954
C 1.723262 2.305349 0.151671
C 5.938860 -1.267947 -0.326212
C -2.655060 -0.320056 -0.208249
C -3.619169 -0.484769 0.798173
C -2.487745 -1.212589 -1.278014
C -4.317412 -2.568560 -0.325470
C -4.451719 -1.622773 0.725845
C -3.334267 -2.341585 -1.325364
C -5.199275 -3.802282 -0.373294
H 1.833786 -1.133516 0.798183
H 2.534286 0.226435 1.732046
H 1.058634 0.537392 -0.961070
H 4.036811 0.806764 -0.196121
H 3.359150 -0.538051 -1.152072
H 4.189758 -2.180902 0.609073
H 4.880973 -0.823555 1.531138
H -0.079590 1.175018 1.710608
H 6.379018 -0.257711 -0.435381
H 5.693864 -1.611753 -1.350560
H -3.733234 0.262616 1.589864
H -1.746975 -1.014257 -2.058657
H 1.418255 4.109026 -0.813500
H 0.472681 2.751974 -1.465652
H -5.218095 -1.773918 1.494419
H -3.231985 -3.051447 -2.153950
H 7.374044 -1.845886 1.111414
H 6.701781 -3.148601 0.260801
H -4.741647 -4.633228 0.197709
H -6.192046 -3.609339 0.068503
H -5.346449 -4.157180 -1.407755


