%chk=000067072.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067072

0 1
 S   0.5044000       2.753900      0.2982000    
 S   -3.581100      -2.437800     -0.3873000    
 O    4.838900      -2.427200       1.210400    
 O  -0.3198000       2.874700      -1.106600    
 O  -0.4700000       2.827600       1.374400    
 O    1.630100       3.670600      0.2460000    
 O   -2.773000      -2.709000       1.005700    
 O   -4.720800      -3.340000     -0.4041000    
 O   -2.620400      -2.428000      -1.476800    
 N    4.504200     -0.4263000     -1.7300000E-02
 N    5.284400      0.4610000     -0.7256000    
 N   -7.491000      0.8371000      0.1878000    
 C    3.134200     -0.2830000      0.1327000    
 C    1.173600       1.134000      0.2936000    
 C   0.3662000      5.2000000E-03  0.4357000    
 C    2.552900      0.9902000      0.1426000    
 C    6.652800      -1.233300      0.1217000    
 C    5.233100      -1.489700      0.5376000    
 C    6.502600      2.7200000E-02 -0.6628000    
 C    2.317300      -1.410600      0.2759000    
 C   0.9382000      -1.267000      0.4269000    
 C   -1.078600      0.1085000      0.5960000    
 C   -3.328200      0.3040000     -0.2847000    
 C   -4.196400     -0.8029000     -0.2438000    
 C   -1.909300      0.1688000     -0.4432000    
 C    7.664700      0.7021000      -1.301700    
 C   -3.880800       1.591200     -0.1643000    
 C   -5.571500     -0.6267000     -8.8100001E-02
 C   -6.101000      0.6584000      2.9600000E-02
 C   -5.255600       1.767300     -8.6000003E-03
 H    3.194200       1.860800      3.5200000E-02
 H    7.024100      -2.040500     -0.5122000    
 H    7.290100      -1.072000      0.9929000    
 H    2.708000      -2.422100      0.2282000    
 H   0.3225000      -2.158100      0.5265000    
 H   -1.444200      0.1321000       1.619100    
 H   -1.536800      0.1454000      -1.463800    
 H    8.392800      0.9741000     -0.5333000    
 H    7.340900       1.604200      -1.827000    
 H    8.133600      1.8700000E-02  -2.014300    
 H   -3.246400       2.473800     -0.1850000    
 H   -6.249200      -1.475400     -5.2800000E-02
 H   -5.656200       2.773600      8.3600000E-02
 H   -1.268600       2.618700      -1.074500    
 H   -7.875000       1.768800      0.2723000    
 H   -8.105200      3.4100000E-02  0.2147000    
 H   -3.315200      -2.653700       1.827500    


%chk=000067072-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067072

0 1
S 0.923460 3.136493 -0.100415
S -4.110594 -2.836908 0.088405
O 4.728392 -2.937722 -0.157079
O 0.304876 3.221160 -1.858977
O -0.329618 3.493562 0.863649
O 2.275525 4.015719 0.026969
O -3.455311 -2.942034 1.830468
O -5.479009 -3.695918 -0.016082
O -2.885403 -3.197599 -0.907944
N 4.576174 -0.547152 -0.189789
N 5.479514 0.573474 -0.219335
N -7.720124 0.885250 0.241317
C 3.182787 -0.280279 -0.168797
C 1.358996 1.297874 -0.139719
C 0.345880 0.299755 -0.126500
C 2.737680 1.063288 -0.165141
C 6.741482 -1.423774 -0.214324
C 5.251842 -1.794713 -0.183143
C 6.708666 0.089195 -0.233569
C 2.224937 -1.333220 -0.162629
C 0.855434 -1.037583 -0.144066
C -1.086790 0.603187 -0.121889
C -3.510823 -0.006012 0.135242
C -4.531013 -0.994262 0.151902
C -2.079638 -0.312375 0.118150
C 7.901788 0.994071 -0.265469
C -4.015047 1.335199 0.167935
C -5.908457 -0.754419 0.187089
C -6.363889 0.593106 0.207888
C -5.381400 1.631141 0.202763
H 3.455874 1.887140 -0.171636
H 7.230768 -1.857372 -1.105444
H 7.262620 -1.834479 0.669495
H 2.566704 -2.370210 -0.180826
H 0.144877 -1.868888 -0.174938
H -1.358637 1.642732 -0.325488
H -1.808040 -1.352708 0.320900
H 8.550845 0.824830 0.614375
H 7.582408 2.048299 -0.272067
H 8.519121 0.803969 -1.163741
H -3.298745 2.161864 0.199668
H -6.609066 -1.596751 0.189031
H -5.705577 2.677822 0.238056
H 0.077948 4.178599 -2.046492
H -8.045051 1.847961 0.256131
H -8.415571 0.144275 0.255656
H -3.181293 -3.892788 1.987413


