%chk=000049250.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049250

0 1
 S   -1.123700      0.4081000      0.7161000    
 O    2.919900       1.358700      -1.757400    
 O    1.288500     -0.1105000       2.393300    
 O    3.467700      -2.999000     -0.4287000    
 N    3.105500     -0.8411000      -1.133900    
 N    2.290000      -1.575200      0.9393000    
 C    1.543000      0.6017000      8.9400001E-02
 C   0.1768000      0.3031000     -0.5535000    
 C    1.555300       2.047800      0.6062000    
 C    2.595300      0.4419000      -1.003300    
 C    1.704500     -0.3601000       1.262200    
 C  -0.1169000       1.274900      -1.684300    
 C    2.917300       2.416400       1.149800    
 C   -2.541200      1.8900000E-02 -0.3344000    
 C   -3.833400      3.0300001E-02  0.4775000    
 C   -5.037600     -0.3054000     -0.4063000    
 C    2.973900      -1.887900     -0.2295000    
 C   -6.341800     -0.2615000      0.3897000    
 C   -7.543100     -0.5612000     -0.4926000    
 H   0.1688000     -0.7192000     -0.9523000    
 H   0.8287000       2.220500       1.407500    
 H    1.331100       2.773900     -0.1824000    
 H  -0.4000000       2.276300      -1.342700    
 H  -0.9420000      0.9058000      -2.303600    
 H   0.6986000       1.381900      -2.400900    
 H    2.884000       3.432400       1.559600    
 H    3.700300       2.413800      0.3868000    
 H    3.233100       1.756000       1.963200    
 H   -2.392800     -0.9625000     -0.7962000    
 H   -2.645700      0.7696000      -1.121200    
 H   -3.983400       1.018000      0.9319000    
 H   -3.773100     -0.7003000       1.294100    
 H    3.704200      -1.011900      -1.937000    
 H    2.287800      -2.287300       1.664400    
 H   -4.906800      -1.302200     -0.8447000    
 H   -5.092900      0.4084000      -1.237400    
 H   -6.303400     -0.9907000       1.207400    
 H   -6.468800      0.7283000      0.8433000    
 H   -7.628900      0.1718000      -1.301100    
 H   -7.463100      -1.557600     -0.9389000    
 H   -8.464500     -0.5261000      9.7000003E-02


%chk=000049250-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049250

0 1
S -1.201923 0.940658 0.598275
O 3.251309 1.024740 -1.768298
O 1.295980 0.213258 2.477901
O 2.526774 -3.314396 -0.270677
N 2.798445 -1.121570 -1.038335
N 1.732905 -1.535203 1.027604
C 1.625469 0.784077 0.087141
C 0.218777 0.702487 -0.670253
C 1.968935 2.228398 0.537594
C 2.645545 0.278172 -0.958820
C 1.546180 -0.160844 1.308763
C 0.086222 1.696941 -1.836135
C 3.327097 2.362393 1.259370
C -2.649771 0.368248 -0.492684
C -3.868811 0.070136 0.397624
C -5.107772 -0.344198 -0.433320
C 2.348408 -2.081726 -0.109167
C -6.336723 -0.664184 0.449251
C -7.576756 -1.070329 -0.376060
H 0.094240 -0.334399 -1.039615
H 1.156277 2.576869 1.199844
H 1.975672 2.869158 -0.360210
H 0.004121 2.732396 -1.467159
H -0.826809 1.473218 -2.415121
H 0.948647 1.638878 -2.525007
H 3.502308 3.418728 1.530802
H 4.162298 2.046885 0.608461
H 3.350827 1.772479 2.191492
H -2.323880 -0.539622 -1.033632
H -2.880352 1.163096 -1.223097
H -4.117108 0.966429 1.000903
H -3.613041 -0.734175 1.114472
H 3.360966 -1.486510 -1.814023
H 1.518313 -2.196801 1.780735
H -4.860719 -1.232357 -1.051631
H -5.368926 0.469201 -1.141872
H -6.075819 -1.478643 1.154959
H -6.578077 0.221594 1.071295
H -7.873928 -0.261162 -1.069582
H -7.372643 -1.973350 -0.981845
H -8.441458 -1.290169 0.276456


