%chk=000144469.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000144469

0 1
 S   0.1775000      0.3657000      -1.357700    
 O   0.6994000     -0.7974000      -2.050700    
 O  -7.9599999E-02   1.589000      -2.093100    
 O   0.6736000       2.984100      0.2037000    
 N    1.172600      0.6478000      6.8099998E-02
 C    1.837300     -0.5188000      0.6364000    
 C    3.252800     -0.6482000      7.6499999E-02
 C    3.976200      -1.854500      0.6763000    
 C   -1.356800     -8.8399999E-02 -0.6009000    
 C    1.226600       1.989900      0.6673000    
 C    5.373500      -2.011100      9.7499996E-02
 C   -2.280100      0.8979000     -0.3053000    
 C   -1.600900      -1.420500     -0.3207000    
 C   -3.754200     -0.7985000      0.5812000    
 C   -3.489200      0.5399000      0.2909000    
 C   -2.810100      -1.778600      0.2753000    
 C    2.029000       2.083600       1.937900    
 C   -5.047500      -1.181700       1.217300    
 H    1.273000      -1.430900      0.4151000    
 H    1.854900     -0.4690000       1.729100    
 H    3.830200      0.2612000      0.2764000    
 H    3.213900     -0.7521000      -1.014600    
 H    3.403000      -2.768100      0.4802000    
 H    4.047200      -1.742300       1.764400    
 H    5.872400      -2.878500      0.5410000    
 H    5.334900      -2.158800     -0.9865000    
 H    5.984200      -1.126100      0.3025000    
 H   -2.089700       1.945500     -0.5165000    
 H  -0.8795000      -2.198500     -0.5494000    
 H   -4.215500       1.313000      0.5275000    
 H   -3.004300      -2.824400      0.4983000    
 H    1.553200       1.497800       2.728200    
 H    2.058400       3.127800       2.265400    
 H    3.057400       1.755900       1.779400    
 H   -5.356900      -2.186400      0.9095000    
 H   -4.949900      -1.163200       2.307300    
 H   -5.850200     -0.4962000      0.9251000    


%chk=000144469-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000144469

0 1
S 0.133282 -0.452498 -0.918383
O 0.522879 -2.022077 -1.133245
O 0.368108 0.600004 -2.123719
O 0.074213 2.006546 0.751203
N 1.239464 0.002248 0.601016
C 2.368331 -0.915161 0.833782
C 3.640920 -0.570192 0.027055
C 4.794320 -1.553740 0.328792
C -1.655655 -0.405435 -0.322246
C 1.014485 1.257928 1.154043
C 6.073400 -1.225014 -0.470818
C -2.372980 0.796318 -0.425112
C -2.207632 -1.615458 0.123558
C -4.346708 -0.422995 0.423363
C -3.732067 0.769051 -0.049642
C -3.569437 -1.607509 0.502455
C 1.926870 1.650867 2.317128
C -5.807022 -0.419873 0.836189
H 2.023629 -1.929439 0.553542
H 2.579838 -0.928974 1.921084
H 3.965433 0.465736 0.252139
H 3.399335 -0.600360 -1.052824
H 4.465330 -2.585651 0.092020
H 5.022473 -1.537651 1.414864
H 6.885046 -1.939989 -0.243697
H 5.880098 -1.266328 -1.558700
H 6.440895 -0.208875 -0.233829
H -1.882255 1.709028 -0.770403
H -1.604398 -2.528265 0.147458
H -4.321859 1.690206 -0.119395
H -4.031553 -2.536624 0.854229
H 1.736848 1.006809 3.195133
H 1.697363 2.693263 2.582527
H 2.994423 1.565306 2.052628
H -6.168942 -1.436680 1.063211
H -5.962168 0.202354 1.737832
H -6.447508 0.000023 0.039163


