%chk=000178967.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178967

0 1
 S   -1.502900     -0.4322000       2.119900    
 S    1.848600       2.866500       1.139200    
 O   -2.850800     -0.8314000      -2.339600    
 O   -5.326400     -0.2474000      -1.429400    
 O    1.288300      -2.773900     -7.3700003E-02
 O   -5.659100       1.688400     -0.2580000    
 O    6.768500      1.6899999E-02  0.2750000    
 O    5.134600      -1.094000       1.392500    
 N   -3.099100     -0.7076000     -1.8000000E-03
 N  -0.1078000     -0.9876000     -0.5664000    
 N    1.754300       1.601600      -1.113300    
 N    1.278400       3.914300      -1.238200    
 C   -2.216700      -1.498500      0.8397000    
 C   -1.377900      -1.724100     -0.4316000    
 C   -2.556500      -1.049600      -1.188100    
 C   -4.096300      6.1000001E-02  0.4902000    
 C   -3.127100      2.2200000E-02   2.832700    
 C   -4.159100      0.3893000       1.792500    
 C    1.123900      -1.592800     -0.3713000    
 C   -5.107200      0.6133000     -0.4129000    
 C    2.297300     -0.6631000     -0.4904000    
 C    2.080500      0.7116000     -0.1266000    
 C    3.480900      -1.198300     -0.8512000    
 C    4.797100     -0.4806000     -0.9460000    
 C    2.182000       1.184300       1.148900    
 C    1.606000       2.783700     -0.5576000    
 C    5.546400     -0.5720000      0.3657000    
 H   -2.696400      -2.408400       1.219700    
 H   -1.270900      -2.781100     -0.7047000    
 H  -0.1421000     -4.8000002E-03 -0.8252000    
 H   -2.960800      0.8806000       3.491000    
 H   -3.499800     -0.8045000       3.445800    
 H   -4.980400       1.002000       2.159000    
 H    3.535100      -2.261000      -1.083500    
 H   -5.999900      8.8799998E-02  -2.058400    
 H    4.656700      0.5761000      -1.195600    
 H    5.400100     -0.9439000      -1.734100    
 H    2.424600      0.6610000       2.063400    
 H    1.125900       3.908800      -2.241300    
 H    1.173100       4.808400     -0.7701000    
 H    7.261800     -3.3900000E-02   1.121400    


%chk=000178967-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178967

0 1
S -1.846029 0.397111 2.036022
S 3.074579 3.378610 0.849418
O -2.463364 -0.399798 -2.352801
O -5.380654 -1.133547 -1.740851
O 1.295794 -2.609421 -0.324075
O -6.626747 0.530927 -0.693116
O 6.603646 -2.093564 -0.079568
O 6.151197 -0.117829 1.047942
N -3.257935 -0.783833 -0.063825
N 0.056447 -0.635761 -0.281332
N 1.319785 1.715363 -0.280262
N 0.471137 3.936391 -0.038143
C -2.211727 -1.103667 0.931009
C -1.201364 -1.327549 -0.261275
C -2.350790 -0.772833 -1.178656
C -4.480419 -0.157346 0.244733
C -3.671060 0.565117 2.571441
C -4.681648 0.444550 1.460473
C 1.250148 -1.338054 -0.321587
C -5.597873 -0.183498 -0.746795
C 2.517598 -0.488875 -0.392695
C 2.490510 0.949076 -0.030835
C 3.631812 -1.167575 -0.814931
C 5.006413 -0.598348 -1.101191
C 3.522318 1.650563 0.580244
C 1.441466 2.977449 0.100604
C 5.958205 -0.864816 0.060567
H -2.443497 -1.968111 1.570542
H -1.002858 -2.403096 -0.422747
H 0.128141 0.405496 -0.344361
H -3.738056 1.560584 3.044589
H -3.858122 -0.187167 3.360634
H -5.677129 0.869466 1.637742
H 3.498373 -2.242604 -0.991386
H -6.114549 -1.090803 -2.410985
H 4.958649 0.492849 -1.256265
H 5.417606 -1.088014 -2.000184
H 4.478602 1.283012 0.953775
H -0.415051 3.672196 -0.464232
H 0.595411 4.880585 0.313806
H 7.177936 -2.265137 0.716156


