%chk=000099437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099437

0 1
 S   -1.810300      5.4000001E-03 -0.6921000    
 O  -0.7524000     -3.6800001E-02  0.5526000    
 O   -1.667600      -1.221900      -1.456200    
 O   -1.685500       1.291500      -1.356000    
 N   -3.355800     -3.7400000E-02  0.1012000    
 N    4.765500      3.1399999E-02 -0.1361000    
 C   0.6105000     -2.0099999E-02  0.3815000    
 C   -3.621600      -1.231600      0.9464000    
 C   -3.777000       1.218700      0.7761000    
 C    1.298800      -1.218700      0.2480000    
 C    1.281100       1.195300      0.3460000    
 C    3.366100      1.3700000E-02  3.8800001E-02
 C    2.682900      -1.201700      7.5900003E-02
 C    2.665300       1.212200      0.1738000    
 H   -4.683600      -1.271700       1.207800    
 H   -3.029400      -1.193600       1.865100    
 H   -3.386800      -2.147200      0.3967000    
 H   -4.800800       1.118700       1.150200    
 H   -3.770500       2.050600      6.6500001E-02
 H   -3.113800       1.444000       1.616200    
 H   0.7706000      -2.167400      0.2778000    
 H   0.7394000       2.130700      0.4523000    
 H    3.217700      -2.142400     -2.8000001E-02
 H    3.186300       2.165800      0.1468000    
 H    5.261300      0.9125000     -0.1616000    
 H    5.274500     -0.8372000     -0.2327000    


%chk=000099437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099437

0 1
S -2.007312 -0.038894 -0.840250
O -0.583518 -0.028668 0.898898
O -1.963906 -1.451260 -1.653411
O -1.945069 1.363423 -1.669644
N -3.655568 -0.022645 0.101526
N 4.887719 0.061473 -0.241567
C 0.724978 -0.007225 0.586867
C -3.845688 -1.271614 0.870985
C -3.830879 1.239183 0.853223
C 1.466737 -1.231014 0.424979
C 1.425136 1.240313 0.421098
C 3.528467 0.039215 0.024950
C 2.837559 -1.210013 0.162922
C 2.795866 1.264863 0.158792
H -4.925108 -1.356892 1.097340
H -3.273742 -1.295636 1.822034
H -3.554994 -2.128112 0.240731
H -4.909081 1.339871 1.079061
H -3.531022 2.083145 0.210473
H -3.257770 1.270302 1.803345
H 0.922758 -2.176777 0.516764
H 0.849544 2.167483 0.509381
H 3.393742 -2.148740 0.051736
H 3.319967 2.221462 0.043958
H 5.383415 0.941740 -0.360502
H 5.412669 -0.802182 -0.356688


