%chk=000087152.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087152

0 1
 S    3.027600      0.2537000     -0.1114000    
 S   -2.353200       1.609800     -2.5800001E-02
 O    3.727700     -0.8889000     -0.6791000    
 O    3.196900       1.573600     -0.7021000    
 N   -2.786300     -0.9319000      3.5799999E-02
 N   -4.724300      0.4176000      4.9800001E-02
 C    1.322700     -0.1301000     -6.7000002E-02
 C  -0.9780000      0.5697000     -3.3500001E-02
 C   0.3850000      0.9057000     -6.9200002E-02
 C   -1.410100     -0.7595000      3.5000001E-03
 C   0.9171000      -1.459600     -3.0300001E-02
 C  -0.4415000      -1.787000      5.2000000E-03
 C    3.492900      0.3866000       1.599600    
 C   -3.376600      0.2404000      2.4499999E-02
 H   0.6891000       1.947800     -9.0899996E-02
 H    1.642300      -2.269000     -2.0600000E-02
 H  -0.7476000      -2.828900      3.5399999E-02
 H    3.302900     -0.5677000       2.094500    
 H    4.558200      0.6228000       1.643700    
 H    2.914500       1.187300       2.064300    
 H   -5.142100       1.342200      3.9299998E-02
 H   -5.366100     -0.3677000      7.9400003E-02


%chk=000087152-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087152

0 1
S 3.099401 0.273214 -0.124786
S -2.424801 1.758189 -0.078883
O 3.858846 -1.014620 -0.791441
O 3.232739 1.789875 -0.730272
N -2.848319 -0.923992 0.049559
N -4.855948 0.366545 0.010163
C 1.252826 -0.129703 -0.030431
C -1.005664 0.622690 -0.039979
C 0.357746 0.954024 -0.073380
C -1.457411 -0.743124 0.025037
C 0.868014 -1.484081 0.008215
C -0.506784 -1.793287 0.040941
C 3.673848 0.359269 1.703773
C -3.494404 0.226725 0.003020
H 0.733218 1.978379 -0.163337
H 1.629193 -2.270487 -0.021415
H -0.857707 -2.828225 0.069151
H 3.485327 -0.629038 2.144534
H 4.746127 0.593425 1.649336
H 3.096028 1.160559 2.183903
H -5.304619 1.276689 -0.036351
H -5.426556 -0.476128 0.047744


