%chk=000096515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096515

0 1
 S  -0.9421000       1.966400     -1.4000000E-03
 O    4.709300       2.194900     -2.0700000E-02
 O    4.936300      -2.495100      5.9000002E-03
 N    2.835200      -1.495200      7.1000000E-03
 N    1.746900       1.834200     -8.2999999E-03
 N    4.852100     -0.1543000     -8.0000004E-03
 N   0.7635000     -0.1665000      6.6000000E-03
 C   -4.591400     -3.6300000E-02  3.0999999E-02
 C   -6.036200      0.4673000      6.1000001E-02
 C   -3.553400       1.091300      1.0300000E-02
 C   -7.029300     -0.6961000      7.6000001E-03
 C   -2.115200      0.5787000      9.6000005E-03
 C   -8.473100     -0.1943000     -1.1000000E-03
 C    2.754900      0.9130000     -6.0000001E-03
 C    2.125900     -0.3020000      3.0000000E-03
 C   0.6254000       1.103800     -3.9999999E-04
 C    4.170700       1.091800     -1.2400000E-02
 C    4.252200      -1.465200      2.3000001E-03
 C   -9.462500      -1.345300     -8.6900003E-02
 C    2.119900      -2.765300      1.6500000E-02
 C    6.310900     -0.1260000     -1.5500000E-02
 H   -4.414000     -0.6730000      0.9067000    
 H   -4.445200     -0.6678000     -0.8541000    
 H   -6.201600       1.056000      0.9712000    
 H   -6.206700       1.134800     -0.7924000    
 H   -3.727200       1.711500     -0.8785000    
 H   -3.717200       1.732300      0.8862000    
 H   -6.872400      -1.354200      0.8709000    
 H   -6.845000      -1.294700     -0.8928000    
 H   -1.936500     -3.3000000E-02  0.9003000    
 H   -1.941700     -4.4399999E-02 -0.8744000    
 H   -8.629500      0.4765000     -0.8539000    
 H   -8.671100      0.3851000      0.9081000    
 H    1.838100       2.842300     -1.4900000E-02
 H   -9.353900      -2.020400      0.7681000    
 H   -9.312400      -1.924600      -1.003600    
 H   -10.48840     -0.9639000     -9.0400003E-02
 H    1.495300      -2.815000      0.9138000    
 H    2.808500      -3.614000      1.8700000E-02
 H    1.489000      -2.824600     -0.8758000    
 H    6.707800      0.8917000     -2.4000000E-02
 H    6.668300     -0.6606000     -0.9013000    
 H    6.677200     -0.6494000      0.8734000    


%chk=000096515-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096515

0 1
S -0.960199 2.136587 0.058360
O 4.922444 2.176318 -0.123563
O 4.917115 -2.546516 0.035310
N 2.833785 -1.464944 0.063863
N 1.823751 1.940033 -0.022893
N 4.895954 -0.203102 -0.042518
N 0.773808 -0.082847 0.076064
C -4.587837 -0.041280 -0.004711
C -6.057923 0.432596 0.055112
C -3.582972 1.135353 0.068288
C -7.075975 -0.724491 -0.056859
C -2.133248 0.632686 0.025274
C -8.545306 -0.248904 0.010247
C 2.832929 0.965031 -0.017546
C 2.153184 -0.258473 0.042521
C 0.610883 1.269445 0.035531
C 4.261437 1.093159 -0.065468
C 4.252445 -1.470973 0.022405
C -9.559250 -1.405787 -0.119264
C 2.100685 -2.743293 0.131330
C 6.375871 -0.243676 -0.089698
H -4.394904 -0.747388 0.828971
H -4.423276 -0.609498 -0.943249
H -6.228647 0.981033 1.004784
H -6.241503 1.160720 -0.762458
H -3.770786 1.826225 -0.777402
H -3.756576 1.709124 0.999832
H -6.892151 -1.459002 0.755107
H -6.911552 -1.268292 -1.010591
H -1.873547 0.008184 0.894164
H -1.906092 0.074301 -0.896626
H -8.724342 0.492899 -0.794877
H -8.711691 0.286164 0.967479
H 1.982241 2.946436 -0.065683
H -9.423339 -2.145906 0.691941
H -9.432734 -1.937181 -1.081399
H -10.600930 -1.039141 -0.070345
H 1.490440 -2.782059 1.049310
H 2.845678 -3.551984 0.136378
H 1.434389 -2.844727 -0.741736
H 6.728594 0.796990 -0.136661
H 6.710924 -0.806992 -0.975863
H 6.769624 -0.746429 0.808638


