%chk=000146236.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146236

0 1
 S  -0.7615000       2.320300      0.4599000    
 O   -1.143800       2.026400       1.827700    
 O  -0.6074000       3.693400      1.9300001E-02
 O   -3.102200      -1.923500       2.259400    
 O    4.375100      -2.240800      0.8846000    
 N   -1.807500       1.502700     -0.6120000    
 N   -3.279700     -0.1802000      -1.313100    
 N    4.368200     -0.4452000     -0.6432000    
 N   -2.420400     -0.1958000      0.8941000    
 C   0.7677000       1.496400      0.1316000    
 C    1.101300      0.3728000      0.8676000    
 C    1.602600       1.990000     -0.8559000    
 C   -2.519200      0.3236000     -0.2928000    
 C    3.161400      0.2056000     -0.3836000    
 C    2.307600     -0.2776000      0.6081000    
 C    2.808900       1.339500      -1.115500    
 C   -4.016700      -1.322900      -1.116400    
 C   -3.981900      -1.935000      7.8599997E-02
 C   -4.834000      -1.832300      -2.261600    
 C   -3.132900      -1.354100       1.171300    
 C    4.887400      -1.586400     -1.7800000E-02
 C    6.226900      -1.976900     -0.5902000    
 H   -1.964200       1.928500      -1.534100    
 H   0.4489000     -2.0099999E-02   1.641100    
 H    1.342800       2.866200      -1.441900    
 H    2.511400      -1.148800       1.214900    
 H    3.463800       1.726100      -1.892300    
 H   -3.321400      0.2655000      -2.222500    
 H    4.934800     -3.1300001E-02  -1.380700    
 H   -4.541000      -2.837700      0.2945000    
 H   -5.565800      -1.079400      -2.572500    
 H   -5.382400      -2.743800      -2.001100    
 H   -4.190100      -2.062800      -3.116900    
 H    6.118900      -2.218500      -1.651300    
 H    6.613800      -2.853600     -6.3299999E-02
 H    6.935300      -1.152100     -0.4731000    


%chk=000146236-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146236

0 1
S -0.757745 2.395798 0.173541
O -1.284983 2.391343 1.696808
O -0.607164 3.798179 -0.641095
O -1.859509 -2.503742 1.360188
O 4.445299 -2.298950 1.048505
N -2.017081 1.563699 -0.954653
N -3.733317 -0.042081 -1.311203
N 4.553661 -0.473583 -0.427638
N -1.941203 -0.450669 0.233636
C 0.833281 1.420216 -0.017374
C 1.046275 0.260225 0.744138
C 1.781952 1.967377 -0.898835
C -2.557619 0.324937 -0.640014
C 3.281125 0.127896 -0.257605
C 2.289756 -0.392914 0.622743
C 3.016334 1.306080 -1.014384
C -4.309396 -1.305895 -1.070357
C -3.696486 -2.142264 -0.167751
C -5.567442 -1.616673 -1.842037
C -2.456434 -1.749063 0.536871
C 5.080803 -1.616379 0.199217
C 6.500467 -1.956717 -0.251009
H -2.490205 2.271409 -1.528333
H 0.256340 -0.144174 1.383068
H 1.564538 2.885611 -1.452519
H 2.495809 -1.299227 1.193434
H 3.780915 1.710136 -1.689202
H -4.180941 0.594507 -1.972424
H 5.174062 -0.006292 -1.093808
H -4.114153 -3.127920 0.048505
H -6.365672 -0.880585 -1.627148
H -5.944327 -2.613514 -1.567679
H -5.384388 -1.610237 -2.933645
H 6.530744 -2.195570 -1.330376
H 6.844935 -2.834707 0.313198
H 7.196468 -1.118056 -0.063863


