%chk=000081270.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081270

0 1
 S   -4.574200       2.381100      1.6000000E-03
 S    4.592100       2.360000     -1.3000000E-03
 O  -2.0800000E-02  -5.589500      8.9999998E-04
 O   -3.652200       3.731000     -3.2200001E-02
 O    3.679000       3.715800      3.2900002E-02
 O   -5.312900       2.340300      -1.252200    
 O   -5.274200       2.344500       1.276300    
 O    5.330500       2.314000       1.252500    
 O    5.291900       2.319100      -1.276000    
 N   -1.129600      -3.494000      2.4800001E-02
 N    1.101400      -3.501200     -2.4900001E-02
 C  -0.6856000      -2.186600      9.8999999E-03
 C   0.6659000      -2.191000     -1.0700000E-02
 C   -1.633400      -1.072100      7.7999998E-03
 C    1.621000      -1.082700     -8.2999999E-03
 C  -1.6799999E-02  -4.368800       0.000000    
 C   -2.103900     -0.5585000      -1.200800    
 C    2.102500     -0.5636000       1.200400    
 C   -2.067400     -0.5235000       1.214600    
 C    2.066300     -0.5279000      -1.215000    
 C   -3.441900       1.052200      4.1999999E-03
 C    3.451100       1.038500     -4.1999999E-03
 C   -3.008000      0.5037000      -1.202600    
 C    3.013600      0.4926000       1.202500    
 C   -2.971700      0.5384000       1.212800    
 C    2.977500      0.5282000      -1.213000    
 H   -2.104300      -3.769000      4.2199999E-02
 H    2.074300      -3.782500     -4.1800000E-02
 H   -1.773300     -0.9743000      -2.149600    
 H    1.770000     -0.9764000       2.150200    
 H   -1.708100     -0.9118000       2.164700    
 H    1.705300     -0.9125000      -2.166300    
 H   -3.355200      0.8922000      -2.155800    
 H    3.363300      0.8786000       2.155800    
 H   -3.289200      0.9542000       2.164900    
 H    3.297700      0.9421000      -2.164900    
 H   -3.077500       3.830600     -0.8274000    
 H    3.105200       3.819200      0.8282000    


%chk=000081270-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081270

0 1
S -4.914487 2.318780 -0.366152
S 4.925728 2.295600 0.369645
O -0.012611 -5.620548 -0.002510
O -4.100437 3.290109 -1.726112
O 4.114119 3.270481 1.728570
O -6.305085 1.707050 -0.921395
O -4.878913 3.203928 0.987451
O 6.312656 1.677272 0.926785
O 4.896314 3.181246 -0.983789
N -1.097075 -3.476809 -0.177087
N 1.081650 -3.481886 0.173261
C -0.697231 -2.123562 -0.102945
C 0.687993 -2.126790 0.099791
C -1.680918 -1.035665 -0.181509
C 1.676686 -1.043519 0.179687
C -0.009710 -4.364714 -0.002330
C -2.830622 -1.180774 -1.012492
C 2.824836 -1.194525 1.011762
C -1.540811 0.146640 0.602583
C 1.542991 0.139828 -0.603954
C -3.611760 0.981628 -0.301671
C 3.616901 0.964572 0.302985
C -3.807841 -0.168535 -1.081446
C 3.806721 -0.186931 1.082344
C -2.503379 1.171322 0.541164
C 2.510346 1.159915 -0.540964
H -2.058398 -3.809766 -0.222203
H 2.041451 -3.819212 0.218426
H -2.944602 -2.071389 -1.640172
H 2.933955 -2.086010 1.639067
H -0.687124 0.253492 1.277715
H 0.690458 0.251075 -1.279842
H -4.694287 -0.268472 -1.715305
H 4.691990 -0.291376 1.717122
H -2.413489 2.075050 1.151700
H 2.425385 2.064361 -1.151144
H -4.657657 4.105294 -1.894578
H 4.674658 4.083242 1.897742


