%chk=000149569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149569

0 1
 S   -6.459800      -2.082200      0.9600000    
 O    4.540400     -0.9725000     -0.9806000    
 O   -3.676700       1.681800      -1.990200    
 O   -7.715200      -2.269300       1.663300    
 O   -6.432800      -1.983000     -0.4859000    
 O    6.661200     -0.6475000      0.6542000    
 N   -1.090100       1.284100     -0.9549000    
 N    2.996300       1.102500     -4.0800001E-02
 N   -5.622000     -0.7627000       1.683300    
 N    6.647000      -2.884100       1.293000    
 C   0.2956000       1.222600     -0.6450000    
 C    1.067700      0.1617000      -1.128900    
 C   0.8751000       2.223300      0.1416000    
 C    2.433100      0.1412000     -0.7979000    
 C    2.248000       2.122000      0.4232000    
 C   -2.224800      0.7792000     -0.3063000    
 C    3.207100     -0.9125000      -1.276900    
 C   0.5114000     -0.8580000      -1.920700    
 C   0.1229000       3.300600      0.6417000    
 C    2.830600       3.114800       1.206400    
 C   -3.506600      0.9839000     -0.8317000    
 C    2.657400      -1.927500      -2.063900    
 C    1.306800      -1.900500      -2.386700    
 C   -2.081200      5.8200002E-02  0.8854000    
 C   -4.475200     -0.2419000       1.011400    
 C   0.7293000       4.280100       1.422600    
 C   -4.627400      0.4750000     -0.1754000    
 C    2.086000       4.186500       1.705600    
 C   -3.202000     -0.4504000       1.541800    
 C    4.989800      -2.119900     -0.2667000    
 C   -5.396900      -3.427400       1.434800    
 C   -3.657300      0.9349000      -3.204600    
 C    6.184200      -1.777600      0.5981000    
 C    7.778200      -2.835200       2.190800    
 H   -1.282100       1.825400      -1.792600    
 H  -0.5400000     -0.8651000      -2.196100    
 H  -0.9389000       3.406900      0.4356000    
 H    3.892200       3.063900       1.442000    
 H    3.275400      -2.738800      -2.439100    
 H   0.8752000      -2.685000      -3.000700    
 H   -1.102600     -0.1212000       1.323200    
 H   0.1465000       5.111600       1.806900    
 H   -5.617400      0.6534000     -0.5886000    
 H    2.569200       4.945500       2.313900    
 H   -3.071500      -1.008900       2.465200    
 H   -5.516100     -0.8206000       2.705100    
 H    5.287700      -2.892600     -0.9844000    
 H    4.199800      -2.512600      0.3865000    
 H   -4.422400      -3.303000      0.9600000    
 H   -5.856900      -4.356100       1.089400    
 H   -5.306900      -3.443300       2.522600    
 H   -4.486800      0.2209000      -3.226800    
 H   -2.705900      0.4071000      -3.322900    
 H   -3.775000       1.633000      -4.037800    
 H    6.190400      -3.781600       1.159100    
 H    8.615000      -3.350400       1.712900    
 H    8.059900      -1.804300       2.417700    
 H    7.507800      -3.358600       3.111000    


%chk=000149569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149569

0 1
S -6.854566 -2.091210 0.261189
O 4.334993 -1.802071 0.457024
O -3.265266 1.809223 -1.776974
O -8.212497 -2.575807 1.019779
O -6.916213 -1.333408 -1.184674
O 7.377705 -3.666325 1.054568
N -0.976197 1.100752 -0.718400
N 3.192020 0.596546 0.211330
N -5.820247 -0.742707 1.539635
N 6.798494 -1.388092 1.053109
C 0.386283 0.899358 -0.388846
C 0.975404 -0.405551 -0.347747
C 1.208398 2.051392 -0.163994
C 2.392417 -0.487856 -0.003345
C 2.623992 1.841338 0.110694
C -2.114879 0.552997 -0.117154
C 2.999845 -1.809826 0.077204
C 0.264092 -1.607270 -0.691195
C 0.700567 3.397262 -0.173013
C 3.473708 2.984297 0.307094
C -3.382773 0.944911 -0.675348
C 2.269111 -2.959747 -0.223816
C 0.900533 -2.842090 -0.629562
C -2.110662 -0.298443 1.020549
C -4.573782 -0.368745 1.010616
C 1.553016 4.481567 0.026312
C -4.587265 0.509616 -0.120470
C 2.955350 4.275214 0.256582
C -3.317245 -0.783326 1.551875
C 5.085020 -3.060844 0.526158
C -5.768241 -3.669707 -0.031887
C -4.507916 2.249440 -2.427424
C 6.536351 -2.726749 0.906472
C 8.126103 -0.885266 1.414730
H -1.193044 1.842120 -1.393810
H -0.776010 -1.543537 -1.018656
H -0.371909 3.573264 -0.310645
H 4.533266 2.790555 0.499576
H 2.730660 -3.949922 -0.170434
H 0.353043 -3.750330 -0.903295
H -1.159291 -0.581749 1.477866
H 1.151412 5.500620 0.022122
H -5.557638 0.810255 -0.520637
H 3.610741 5.139730 0.407375
H -3.296081 -1.456483 2.417697
H -5.737343 -1.315774 2.405934
H 5.080072 -3.579620 -0.452329
H 4.659684 -3.734775 1.294890
H -4.775203 -3.315920 -0.342092
H -6.281082 -4.222812 -0.831161
H -5.754498 -4.222691 0.917294
H -5.122875 2.851073 -1.732446
H -5.089671 1.380207 -2.784849
H -4.185979 2.867060 -3.278086
H 6.012739 -0.744332 0.901529
H 8.096412 -0.337008 2.374483
H 8.800572 -1.750499 1.518469
H 8.523071 -0.212506 0.632331


