%chk=000115943.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115943

1 1
 S   -3.793400      0.9137000      -1.252400    
 O    1.344000     -0.7085000     -1.5600000E-02
 O   0.1461000      -2.290200       1.090500    
 N    3.848800     -0.5126000      0.1917000    
 N  -0.9623000     -0.7437000     -0.3082000    
 N   -2.332100      -2.468000      0.6130000    
 C    4.075600     -0.6470000      -1.307400    
 C    3.760300      0.9606000      0.5627000    
 C    2.545700      -1.227200      0.5839000    
 C    5.014900      -1.150000      0.9370000    
 C    2.902900     -5.9000002E-03  -2.031600    
 C    4.222500      -2.122700      -1.642300    
 C    5.063500       1.636200      0.1674000    
 C    3.485600       1.066400       2.054100    
 C   0.1685000      -1.334200      0.3178000    
 C  -0.7866000      0.3983000      -1.211800    
 C   -2.297300      -1.273300     -4.7699999E-02
 C   -1.232400       1.679000     -0.5628000    
 C   -3.506300     -0.6557000     -0.4332000    
 C   -2.596800       1.985500     -0.4944000    
 C  -0.3017000       2.544700      2.7200000E-02
 C   -3.016700       3.164100      0.1329000    
 C   -4.712300      -1.329800     -0.1394000    
 C  -0.7255000       3.713500      0.6585000    
 C   -2.081900       4.023900      0.7092000    
 C   -3.509400      -3.070100      0.8795000    
 C   -4.724000      -2.547100      0.5212000    
 H    5.016500     -0.1598000      -1.575500    
 H    2.915800       1.432800      6.4199999E-02
 H    2.644800      -2.286800      0.3300000    
 H    2.457800      -1.209000       1.674900    
 H    4.909700      -2.238800      0.8846000    
 H    5.963500     -0.8652000      0.4746000    
 H    5.003800     -0.9085000       1.997700    
 H    3.227000      0.1483000      -3.071800    
 H    2.051100     -0.6813000      -2.145800    
 H    2.578400      0.9838000      -1.720400    
 H    4.437000      -2.207900      -2.716300    
 H    3.317700      -2.716700      -1.492900    
 H    5.065400      -2.612900      -1.149500    
 H    5.030400       2.678800      0.5112000    
 H    5.957300       1.212700      0.6313000    
 H    5.211600       1.710000     -0.9125000    
 H    3.390100       2.134000       2.298800    
 H    4.284200      0.7161000       2.709800    
 H    2.532300      0.6387000       2.371000    
 H   -1.309000      0.1955000      -2.154500    
 H   0.2522000      0.5122000      -1.521300    
 H   0.7587000       2.314800     -8.9999998E-04
 H   -4.071200       3.425500      0.1823000    
 H   -5.674400     -0.9016000     -0.4195000    
 H   2.4000001E-03   4.380800       1.110600    
 H   -2.412400       4.935500       1.198400    
 H   -3.437300      -4.016300       1.404400    
 H   -5.652100      -3.057300      0.7481000    


%chk=000115943-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115943

1 1
S -4.010461 0.823677 0.099710
O 1.365575 0.395552 0.431734
O 0.352770 -1.687072 0.904246
N 3.729352 -0.320979 0.232384
N -0.780263 -0.026598 -0.347406
N -1.345523 -2.014124 -1.488054
C 3.657137 -1.732726 -0.523179
C 3.867050 0.866713 -0.809367
C 2.508031 -0.057560 1.163119
C 4.937634 -0.355329 1.168025
C 2.654294 -1.782835 -1.690984
C 3.414709 -2.900533 0.453161
C 5.104224 0.693927 -1.709902
C 3.865058 2.251444 -0.131015
C 0.255986 -0.564589 0.367047
C -0.930454 1.446540 -0.587348
C -1.807135 -0.917410 -0.830255
C -1.495719 2.135580 0.637260
C -3.188392 -0.631708 -0.671923
C -2.810404 1.831628 1.073298
C -0.724199 3.049562 1.392677
C -3.344121 2.430248 2.237653
C -4.106814 -1.567807 -1.222010
C -1.253618 3.668638 2.546902
C -2.565140 3.354729 2.969075
C -2.235862 -2.907219 -1.990090
C -3.633792 -2.718636 -1.878791
H 4.681047 -1.816677 -0.929554
H 2.946475 0.780220 -1.407291
H 2.288570 -0.992530 1.703314
H 2.816332 0.742082 1.851666
H 4.716343 -1.002123 2.028956
H 5.808374 -0.753269 0.629151
H 5.154130 0.660160 1.527409
H 2.821368 -2.745972 -2.206622
H 1.602473 -1.785546 -1.367839
H 2.805008 -0.995518 -2.446864
H 3.573420 -3.834683 -0.114172
H 2.375586 -2.923158 0.821489
H 4.117662 -2.930710 1.302421
H 5.104576 1.521148 -2.440814
H 6.050352 0.765942 -1.145778
H 5.102768 -0.242138 -2.290548
H 3.864751 3.007860 -0.935523
H 4.765753 2.442425 0.477909
H 2.964153 2.435448 0.475625
H -1.610491 1.550780 -1.451589
H 0.048618 1.864893 -0.863661
H 0.294515 3.283555 1.060418
H -4.356588 2.179040 2.569438
H -5.183180 -1.395144 -1.117666
H -0.652395 4.387676 3.112472
H -2.983751 3.821217 3.866477
H -1.814521 -3.779576 -2.498644
H -4.330272 -3.451217 -2.295347


