%chk=000083612.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083612

0 1
 S    3.290500       1.355100      0.4038000    
 O    4.590900       1.713700     -0.1312000    
 O    2.970500       1.660800       1.784900    
 N    2.065500       1.974900     -0.6369000    
 C   0.7290000       1.495500     -0.4881000    
 C   -1.882500      0.5577000     -0.1964000    
 C    3.108200     -0.3912000      0.1808000    
 C   -3.237000      7.2099999E-02 -4.5699999E-02
 C   5.8100000E-02   1.665700      0.7230000    
 C   9.4300002E-02  0.8564000      -1.553200    
 C   -1.247500       1.196800      0.8688000    
 C   -1.211400      0.3877000      -1.407400    
 C    3.830600      -1.021900     -0.8158000    
 C    2.247300      -1.089600       1.007900    
 C   -3.466300      -1.226000      0.4101000    
 C   -4.313800      0.9020000     -0.3582000    
 C    3.687100      -2.398300     -0.9912000    
 C    2.104000      -2.466000      0.8325000    
 C   -4.772500      -1.694300      0.5532000    
 C   -5.619800      0.4338000     -0.2148000    
 C    2.824000      -3.120400     -0.1670000    
 C   -5.849300     -0.8643000      0.2409000    
 H    2.352900       2.161000      -1.606700    
 H   0.5176000       2.184500       1.558400    
 H   0.6081000      0.7163000      -2.500700    
 H   -1.758300       1.342900       1.817600    
 H   -1.691100     -0.1088000      -2.247600    
 H    4.500900     -0.4768000      -1.472800    
 H    1.683200     -0.6031000       1.796900    
 H   -2.638300      -1.886200      0.6577000    
 H   -4.152800       1.916600     -0.7151000    
 H    4.245900      -2.907700      -1.770800    
 H    1.432600      -3.028400       1.475000    
 H   -4.951200      -2.705100      0.9079000    
 H   -6.458200       1.079900     -0.4580000    
 H    2.712100      -4.192000     -0.3039000    
 H   -6.866100      -1.229000      0.3525000    


%chk=000083612-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083612

0 1
S 3.341750 1.183360 0.665291
O 4.725487 1.860832 0.148897
O 2.849732 1.219093 2.211521
N 1.948214 2.137216 -0.350696
C 0.638639 1.600560 -0.270554
C -2.061760 0.661949 -0.068347
C 3.340070 -0.633469 0.113406
C -3.467262 0.182452 0.036237
C -0.062130 1.680125 0.967605
C -0.018982 1.031597 -1.399605
C -1.380917 1.206130 1.060334
C -1.352104 0.596173 -1.301061
C 4.221458 -1.004702 -0.916253
C 2.463583 -1.521908 0.758658
C -3.963963 -0.371483 1.249931
C -4.354981 0.264621 -1.073620
C 4.213708 -2.358266 -1.325632
C 2.467970 -2.869566 0.328717
C -5.295477 -0.826182 1.350211
C -5.686233 -0.191361 -0.975136
C 3.335969 -3.282627 -0.709703
C -6.164737 -0.739626 0.237734
H 2.342876 2.171536 -1.309296
H 0.437481 2.132855 1.828588
H 0.518032 0.939717 -2.352364
H -1.912310 1.306939 2.012887
H -1.834672 0.155375 -2.180298
H 4.906387 -0.270399 -1.353332
H 1.823861 -1.177699 1.577166
H -3.295123 -0.474845 2.111805
H -4.011647 0.720906 -2.008921
H 4.894926 -2.688437 -2.116745
H 1.798885 -3.591431 0.808141
H -5.652698 -1.255743 2.292835
H -6.353774 -0.108335 -1.840104
H 3.336055 -4.329080 -1.033263
H -7.199112 -1.091979 0.315365


