%chk=000093826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093826

0 1
 S    4.007700      0.8779000      0.7560000    
 O   -1.193000       2.483300      0.2713000    
 O    2.822900      -1.906000      0.1885000    
 O   -5.666100     -0.9954000       1.000000    
 O   -3.795200     -0.8605000       2.277100    
 O   -2.063800       1.634300      -1.676900    
 O    3.904100       1.637100     -0.4782000    
 O    2.820300      0.5533000       1.527400    
 O    2.233700      -3.188400      -1.623500    
 N   -2.753000      0.8689000      0.4026000    
 N   0.8568000      -3.002400      0.2358000    
 C   -3.066900      -1.236700     -0.8492000    
 C   -1.950800      -1.992300     -0.1172000    
 C   -3.712000     -0.1101000     -4.0500000E-02
 C   -1.290200      -3.077100     -0.9742000    
 C  -0.2168000      -3.847500     -0.2101000    
 C  -0.3598000       3.363400     -0.4915000    
 C   -4.363100     -0.6705000       1.209300    
 C   -2.008900       1.659300     -0.4518000    
 C   0.5588000       2.520000      -1.374400    
 C   0.4578000       4.193700      0.4957000    
 C   -1.254600       4.265200      -1.340800    
 C    4.867200     -0.6255000      0.4081000    
 C    4.045500      -1.551400     -0.4674000    
 C    1.994400      -2.741500     -0.5065000    
 C    5.124800       1.749000       1.830600    
 H   -3.844000      -1.957900      -1.134400    
 H   -2.664300     -0.8379000      -1.787500    
 H   -1.186200      -1.278900      0.2108000    
 H   -2.354500      -2.466100      0.7847000    
 H   -4.461800      0.4160000     -0.6419000    
 H  -0.8494000      -2.614300      -1.865600    
 H   -2.054200      -3.782900      -1.320900    
 H  -0.6465000      -4.325800      0.6765000    
 H   0.1939000      -4.635100     -0.8513000    
 H   -2.611400       1.005200       1.399800    
 H    1.394300       3.124400      -1.747200    
 H   7.6200001E-02   2.104600      -2.262800    
 H   0.9762000       1.676900     -0.8123000    
 H    1.123000       4.897100     -1.5500000E-02
 H  -0.1998000       4.761100       1.164100    
 H    1.066400       3.545200       1.136700    
 H  -0.6855000       5.125100      -1.714100    
 H   -2.095400       4.650200     -0.7523000    
 H   -1.674700       3.785100      -2.228000    
 H   0.7769000      -2.566800       1.149600    
 H    5.070400      -1.099500       1.373800    
 H    5.812200     -0.3687000     -7.8800000E-02
 H    4.620400      -2.462600     -0.6688000    
 H    3.810500      -1.061100      -1.419400    
 H   -6.080000      -1.379400       1.802100    
 H    6.063300       1.918700       1.299900    
 H    5.288900       1.150300       2.728400    
 H    4.666100       2.703800       2.095600    


%chk=000093826-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093826

0 1
S 3.910301 0.886357 0.649857
O -1.164149 2.451395 0.271445
O 2.831709 -2.168832 0.611712
O -5.638857 -1.371444 0.527673
O -4.270838 -0.503753 2.191243
O -2.361815 1.877601 -1.705663
O 3.407893 0.888126 -0.910702
O 2.878486 1.219775 1.873071
O 2.493441 -3.663919 -1.184780
N -2.727609 0.825702 0.348105
N 0.799085 -3.157711 0.376928
C -3.064421 -1.277541 -1.002222
C -2.063831 -2.113556 -0.178755
C -3.715259 -0.108128 -0.189244
C -1.285530 -3.128823 -1.044685
C -0.266630 -3.967630 -0.237011
C -0.289195 3.517305 -0.383553
C -4.534229 -0.646604 0.975593
C -2.100209 1.741002 -0.476480
C 0.535477 2.890702 -1.524806
C 0.606533 3.946228 0.791688
C -1.196871 4.665664 -0.868527
C 4.790203 -0.852167 0.972541
C 4.166595 -1.884956 0.060433
C 2.051100 -3.065157 -0.172207
C 5.346114 2.152028 0.770760
H -3.873657 -1.916250 -1.402760
H -2.550841 -0.807707 -1.861310
H -1.348684 -1.420809 0.308126
H -2.593795 -2.655788 0.632988
H -4.393276 0.430245 -0.878795
H -0.749501 -2.598446 -1.855416
H -1.995228 -3.828615 -1.531361
H -0.788528 -4.527728 0.563547
H 0.228033 -4.699261 -0.898432
H -2.514895 0.808344 1.348127
H 1.222025 3.655290 -1.934570
H -0.120105 2.538899 -2.336963
H 1.151105 2.050443 -1.160098
H 1.305615 4.734538 0.456410
H -0.005008 4.349640 1.617906
H 1.188996 3.088239 1.170620
H -0.572346 5.494934 -1.248957
H -1.812175 5.049999 -0.035322
H -1.860944 4.323697 -1.678749
H 0.594123 -2.558526 1.177569
H 4.619820 -1.033248 2.044254
H 5.852758 -0.676678 0.737440
H 4.778585 -2.807672 0.045147
H 4.072167 -1.507469 -0.975830
H -6.144861 -1.721706 1.310169
H 6.057642 1.921093 -0.034194
H 5.781514 2.060936 1.775931
H 4.864768 3.128740 0.623510


