%chk=000014984.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014984

0 1
 S  -0.9305000       2.457600      0.6387000    
 S   -6.097500     -0.9899000     -0.4516000    
 O  -0.5525000      -1.789900       1.740400    
 O   -4.782000     -0.2597000      0.1851000    
 O   -3.158500      -1.353100      -1.021900    
 O    3.053500       1.554900     -0.3488000    
 O   -6.191400     -0.6075000      -1.848500    
 O   -6.062200      -2.390200     -7.1599998E-02
 N   -1.211500     -9.0000004E-02  0.2417000    
 N    1.896800     -0.4234000      1.7899999E-02
 N   -7.397600     -0.2505000      0.3845000    
 C  -0.2207000      0.9373000     -9.2100002E-02
 C   -2.661900       1.836800      0.3449000    
 C   -2.553700      0.3185000      0.6032000    
 C   0.7819000      0.1587000      0.7709000    
 C  -0.3748000     -0.8276000       1.028400    
 C   -3.061000       2.212100      -1.088800    
 C   -3.606800       2.506400       1.344400    
 C   -3.500200     -0.5328000     -0.1818000    
 C    2.953600      0.3382000     -0.4850000    
 C    3.968500     -0.5112000      -1.224700    
 C    5.349700     -0.4443000     -0.6285000    
 C    6.239300      0.5237000      -1.073000    
 C    5.713200      -1.351200      0.3571000    
 C    7.518600      0.5860000     -0.5207000    
 C    6.992500      -1.288700      0.9095000    
 C    7.895300     -0.3201000      0.4705000    
 H  -2.0199999E-02  0.9852000      -1.166900    
 H   -2.689600      7.7399999E-02   1.666100    
 H    1.124900      0.6542000       1.686100    
 H   -2.992600       3.294200      -1.253200    
 H   -2.430900       1.719100      -1.837600    
 H   -4.098400       1.928500      -1.298800    
 H   -3.611300       3.596300       1.224500    
 H   -4.637700       2.163800       1.205400    
 H   -3.326600       2.285800       2.381000    
 H    1.912200      -1.427600     -0.1434000    
 H    3.989600     -0.1605000      -2.264700    
 H    3.647500      -1.558300      -1.282800    
 H   -7.484700     -0.4681000       1.385500    
 H   -7.568600      0.7432000      0.1834000    
 H    5.955400       1.235400      -1.843100    
 H    5.016500      -2.107800      0.7069000    
 H    8.221300       1.340600     -0.8620000    
 H    7.285700      -1.993900       1.681800    
 H    8.891300     -0.2713000      0.9008000    


%chk=000014984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014984

0 1
S -1.151587 3.019391 -0.687001
S -5.857664 -1.714720 0.500558
O 0.371114 -0.275594 1.981184
O -4.397448 -0.394428 0.905682
O -3.080504 -1.257121 -0.829447
O 3.539207 2.307062 -0.772859
O -6.569303 -1.205857 -0.845976
O -5.344768 -3.208094 0.779327
N -0.962627 0.474672 0.091086
N 2.155623 0.437603 -0.787068
N -6.883905 -1.263809 1.841572
C -0.290277 1.340859 -0.909926
C -2.810412 2.083324 -0.260842
C -2.340779 0.740650 0.472000
C 1.064066 1.117433 -0.128918
C 0.197351 0.293010 0.891352
C -3.563995 1.819260 -1.582868
C -3.632795 2.962446 0.697377
C -3.278909 -0.437538 0.083963
C 3.363770 1.084244 -1.048238
C 4.460340 0.200546 -1.656358
C 5.331708 -0.449069 -0.578210
C 6.010531 0.354991 0.373789
C 5.476643 -1.857109 -0.517835
C 6.817931 -0.242202 1.365954
C 6.287517 -2.455447 0.474614
C 6.960320 -1.649109 1.419925
H -0.330687 1.003594 -1.955151
H -2.397840 0.877247 1.566630
H 1.452606 2.055272 0.304757
H -3.764890 2.778544 -2.087768
H -2.981438 1.183864 -2.271237
H -4.534816 1.320761 -1.395704
H -3.946592 3.896558 0.199449
H -4.544804 2.418451 1.007371
H -3.055845 3.226433 1.600492
H 2.074616 -0.562863 -0.979217
H 5.073002 0.862925 -2.293260
H 4.020608 -0.578927 -2.305556
H -6.585891 -1.609294 2.758297
H -7.336266 -0.348699 1.765954
H 5.894469 1.444495 0.336938
H 4.961671 -2.489669 -1.252217
H 7.335568 0.388704 2.097240
H 6.391645 -3.545751 0.508821
H 7.587637 -2.110740 2.190522


