%chk=000178140.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178140

0 1
 S    2.773400       1.940200      0.4337000    
 O    3.070400       3.296300     -1.0900000E-02
 O    3.059500       1.558400       1.811100    
 O    4.142800      -2.319000      0.8237000    
 O   -5.984900     -0.9994000      0.1413000    
 O   -3.503500     -0.8333000      0.9232000    
 N    3.526400      0.8299000     -0.6222000    
 N   -2.958800      0.8537000     -0.6296000    
 N    3.655300      -1.020600      0.9105000    
 C    1.085900       1.620900      0.1209000    
 C   -1.610600       1.109700     -0.3790000    
 C   0.4080000      0.6591000      0.8697000    
 C   0.4157000       2.327100     -0.8779000    
 C  -0.9403000      0.4034000      0.6198000    
 C  -0.9327000       2.071600      -1.127800    
 C    3.881800     -0.4993000     -0.2904000    
 C    4.497800      -1.391700      -1.172600    
 C   -3.799200     -6.5899998E-02  1.2200000E-02
 C    4.641900      -2.528000     -0.4214000    
 C   -5.204100     -4.6300001E-02 -0.5498000    
 C    5.202100      -3.858200     -0.6892000    
 C   -7.325600      -1.035000     -0.3384000    
 C   -8.101500      -2.073600      0.4432000    
 H   0.9102000      9.4999999E-02   1.650500    
 H   0.9256000       3.075500      -1.477800    
 H    3.827700       1.170300      -1.544400    
 H   -1.396800     -0.3554000       1.239800    
 H   -1.442100       2.628400      -1.910200    
 H   -3.376200       1.410300      -1.372700    
 H    4.796100      -1.242500      -2.200000    
 H   -5.623500      0.9571000     -0.4155000    
 H   -5.160900     -0.2928000      -1.616500    
 H    6.032300      -4.070300     -8.5000005E-03
 H    4.439700      -4.631400     -0.5534000    
 H    5.578200      -3.929600      -1.714600    
 H   -7.329600      -1.293800      -1.403100    
 H   -7.789800     -5.1100001E-02 -0.2090000    
 H   -9.138300      -2.127600      9.9699996E-02
 H   -7.641300      -3.061300      0.3344000    
 H   -8.095300      -1.835800       1.512100    


%chk=000178140-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178140

0 1
S 2.305948 1.350030 -1.375915
O 2.256080 2.076197 -2.833240
O 3.101134 2.001808 -0.121257
O 4.250819 -2.016025 1.110196
O -5.958975 -0.157251 0.017826
O -3.303555 -0.659712 2.447437
N 3.081218 -0.366654 -1.831352
N -3.407445 0.081937 0.201715
N 3.216970 -1.304873 0.360239
C 0.561388 0.913555 -0.861969
C -2.056046 0.347227 -0.115685
C 0.328884 0.439455 0.439285
C -0.453461 1.111792 -1.813120
C -0.997584 0.153583 0.817638
C -1.774657 0.826722 -1.426727
C 3.808990 -1.035331 -0.840775
C 5.158643 -1.550733 -0.917236
C -3.945069 -0.381702 1.393121
C 5.390598 -2.161110 0.300824
C -5.471246 -0.545249 1.341266
C 6.547472 -2.885624 0.907855
C -7.422546 -0.269695 -0.130589
C -7.782569 0.179406 -1.544826
H 1.158822 0.280652 1.133936
H -0.212746 1.491237 -2.810759
H 3.586892 -0.188138 -2.714050
H -1.225617 -0.220348 1.817248
H -2.592060 0.976462 -2.141635
H -4.121330 0.242765 -0.523947
H 5.845635 -1.469172 -1.755667
H -5.714735 -1.604669 1.566535
H -5.915528 0.088980 2.136808
H 6.872147 -2.394431 1.842354
H 6.277615 -3.928050 1.155461
H 7.397471 -2.901839 0.207553
H -7.915706 0.370112 0.632290
H -7.726871 -1.323513 0.046567
H -8.874426 0.110428 -1.699071
H -7.473617 1.225505 -1.712139
H -7.285134 -0.458735 -2.295296


