%chk=000113747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113747

0 1
 S    5.685200       1.850000     -0.2851000    
 O   0.2004000      -4.850800      0.4997000    
 O    2.055600      -2.755300      0.3417000    
 O    6.824800       1.646500      0.5978000    
 O    5.904300       2.087500      -1.705200    
 N   -2.124800      -2.096600     -0.3717000    
 N   -3.975400      5.1500000E-02 -2.5400000E-02
 C   -2.281900      -1.454900      0.9392000    
 C   -3.409600      -2.101900      -1.082200    
 C   -2.758400     -7.8999996E-03  0.7901000    
 C   -3.922800     -0.6766000      -1.299400    
 C   -1.617900      -3.459800     -0.2183000    
 C  -0.2294000      -3.488500      0.4249000    
 C   -4.813600       1.168900      5.9200000E-02
 C   0.8145000      -2.691300     -0.3541000    
 C   -4.295800       2.443500      0.3652000    
 C   -6.201100       1.053200     -0.1588000    
 C   -5.131600       3.557000      0.4500000    
 C   -7.036900       2.166900     -7.3899999E-02
 C    2.898200      -1.685900      0.1965000    
 C   -6.502000       3.418800      0.2305000    
 C    4.610600      0.4862000     -9.8899998E-02
 C    2.880400     -0.9498000     -0.9833000    
 C    3.764600      -1.345600       1.230000    
 C    3.739200      0.1393000      -1.131500    
 C    4.623400     -0.2564000       1.081800    
 C    4.754200       3.233100      0.3341000    
 C    5.546200       4.518500      0.2469000    
 H   -2.992000      -2.013900       1.563500    
 H   -1.335700      -1.400900       1.485300    
 H   -3.293900      -2.576300      -2.064300    
 H   -4.158800      -2.681000     -0.5254000    
 H   -2.945400      0.3944000       1.793600    
 H   -1.968100      0.5949000      0.3244000    
 H   -3.264100     -0.1397000      -1.994300    
 H   -4.909900     -0.7379000      -1.771800    
 H   -2.305500      -4.083300      0.3696000    
 H   -1.548500      -3.944000      -1.202000    
 H  -0.2595000      -3.151500       1.465800    
 H   0.9562000      -3.130600      -1.348700    
 H   0.4681000      -1.655600     -0.4493000    
 H   -3.231700       2.592400      0.5301000    
 H   -6.642700      8.5199997E-02 -0.3847000    
 H    1.089600      -4.855000      0.8938000    
 H   -4.715300       4.532400      0.6843000    
 H   -8.104400       2.059100     -0.2420000    
 H   -7.152700       4.285800      0.2966000    
 H    2.238800      -1.202700      -1.821800    
 H    3.776200      -1.920300       2.151700    
 H    3.713000      0.7041000      -2.059200    
 H    5.288400     -1.9999999E-04   1.901800    
 H    4.491100       3.018400       1.374200    
 H    3.837700       3.310400     -0.2587000    
 H    4.957100       5.355200      0.6349000    
 H    6.470700       4.454300      0.8295000    
 H    5.819600       4.746600     -0.7883000    


%chk=000113747-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113747

0 1
S 6.671165 1.502495 -0.759116
O 0.377797 -4.270759 0.695528
O 1.902559 -1.882070 0.830583
O 7.994953 0.733551 -0.170457
O 6.512897 1.875607 -2.348742
N -2.363914 -1.843013 -0.071860
N -4.694542 -0.112379 -0.002505
C -3.078284 -1.559727 1.199610
C -3.335613 -1.821538 -1.195794
C -3.783952 -0.191390 1.153775
C -4.020954 -0.449038 -1.277288
C -1.583004 -3.103619 -0.024340
C -0.241075 -2.939402 0.711911
C -5.770814 0.813618 0.007599
C 0.659120 -1.911149 0.024140
C -5.947540 1.750785 1.070765
C -6.746525 0.806646 -1.036664
C -7.055275 2.625987 1.088355
C -7.840532 1.692627 -1.013505
C 2.953347 -1.064248 0.408292
C -8.011640 2.611420 0.049461
C 5.155994 0.494803 -0.260856
C 2.889814 -0.215674 -0.728266
C 4.133324 -1.137757 1.195572
C 4.011621 0.571877 -1.068160
C 5.252026 -0.355729 0.857191
C 6.523032 3.180574 0.224588
C 7.733614 4.039596 -0.125164
H -3.840469 -2.351608 1.410529
H -2.355007 -1.555347 2.034838
H -2.791470 -2.010848 -2.139425
H -4.116942 -2.613352 -1.077387
H -4.367570 -0.079168 2.083555
H -3.016303 0.617717 1.125541
H -3.250061 0.319485 -1.518272
H -4.751569 -0.459865 -2.099963
H -2.139418 -3.938609 0.463197
H -1.363657 -3.425691 -1.059603
H -0.402029 -2.611328 1.761330
H 0.899098 -2.235264 -1.008242
H 0.174343 -0.917554 0.013128
H -5.212704 1.819959 1.878283
H -6.671796 0.084446 -1.855983
H 1.291447 -4.183720 1.071945
H -7.159819 3.334220 1.918836
H -8.574153 1.654330 -1.827344
H -8.866398 3.295327 0.065351
H 1.991196 -0.166412 -1.348677
H 4.153753 -1.815844 2.053621
H 4.010812 1.208800 -1.959388
H 6.188317 -0.424645 1.420921
H 6.481163 2.864390 1.279244
H 5.558983 3.596756 -0.108974
H 7.676420 4.997515 0.424017
H 8.672217 3.533232 0.158551
H 7.762718 4.260886 -1.205880


