%chk=000135421.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135421

0 1
 S   -6.051900      0.5811000     -0.6307000    
 O   -2.116600      -1.547700       2.624000    
 O   -7.385600      0.3011000      -1.129300    
 O   -5.839300      0.8969000      0.7679000    
 O    6.140600       2.260500      0.2273000    
 N   0.1596000     -0.9288000       1.088900    
 N    3.947100     -0.1690000     -0.5373000    
 N   -5.002600     -0.6854000      -1.142100    
 N    5.171600       2.782500      -1.784500    
 C    1.443800     -0.6710000      0.5374000    
 C    1.980700      0.6187000      0.6035000    
 C    2.159800      -1.709500     -6.6799998E-02
 C    3.253300      0.8276000      4.5600001E-02
 C    3.425400      -1.409400     -0.5984000    
 C   -1.129700     -0.8722000      0.5435000    
 C    3.793200       2.109400      0.1083000    
 C    1.283200       1.681100       1.204500    
 C    1.644500      -3.014900     -0.1474000    
 C   -2.254500      -1.182000       1.318100    
 C   -3.695100     -0.7494000     -0.5727000    
 C   -1.302300     -0.5002000     -0.7952000    
 C    4.143100      -2.439000      -1.201100    
 C   -3.532400      -1.120900      0.7620000    
 C    3.102800       3.167500      0.7049000    
 C    1.845300       2.953200       1.254200    
 C   -2.580000     -0.4391000      -1.351200    
 C    2.382100      -4.026500     -0.7552000    
 C   -5.411800       1.929500      -1.598300    
 C    3.634000      -3.737600      -1.283000    
 C    5.110600       2.387800     -0.4535000    
 C   -6.173900       3.209600      -1.338200    
 C   -2.144800     -0.5040000       3.594900    
 H   0.2018000      -1.241900       2.054300    
 H   0.2999000       1.547300       1.647700    
 H   0.6712000      -3.276500      0.2595000    
 H  -0.4534000     -0.2520000      -1.427000    
 H    5.126600      -2.237900      -1.622200    
 H   -4.395400      -1.377200       1.371900    
 H    3.539600       4.162100      0.7458000    
 H    1.305000       3.771700       1.720000    
 H   -2.695200     -0.1469000      -2.391800    
 H   -5.029500     -0.8943000      -2.149200    
 H    1.982400      -5.034100     -0.8152000    
 H   -4.360300       2.067700      -1.332100    
 H   -5.485900       1.648800      -2.653100    
 H    4.218000      -4.519700      -1.759200    
 H   -5.765700       4.025100      -1.943100    
 H   -7.233700       3.097600      -1.588800    
 H   -6.109600       3.502400     -0.2853000    
 H   -3.116200      6.9999998E-04   3.584700    
 H   -1.344800      0.2203000       3.412600    
 H   -1.993400     -0.9501000       4.581700    
 H    4.338700       2.883200      -2.355900    
 H    6.061200       2.982800      -2.229300    


%chk=000135421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135421

0 1
S -6.200879 1.078804 -0.612657
O -2.039883 -1.779838 1.986839
O -7.574184 1.223280 -1.472632
O -6.223855 0.559248 0.932490
O 5.163356 3.863446 -1.761455
N 0.103721 -0.991377 0.706509
N 4.122809 -0.083858 -0.452630
N -5.009621 -0.262911 -1.618439
N 5.889172 1.673320 -1.429286
C 1.415141 -0.661150 0.307282
C 1.801186 0.677663 -0.035732
C 2.405762 -1.698496 0.317426
C 3.182218 0.915937 -0.459221
C 3.767114 -1.343664 -0.050265
C -1.118474 -0.718989 0.068416
C 3.569078 2.260935 -0.861153
C 0.907297 1.794099 0.095190
C 2.113896 -3.068939 0.641146
C -2.302897 -1.160748 0.753154
C -3.706968 -0.366629 -1.083817
C -1.261341 -0.118644 -1.208928
C 4.785167 -2.358193 -0.019195
C -3.572304 -1.002685 0.188552
C 2.636658 3.296354 -0.760845
C 1.318890 3.075733 -0.257419
C -2.537975 0.089214 -1.761849
C 3.123559 -4.029383 0.657366
C -5.309066 2.838024 -0.593669
C 4.474893 -3.667760 0.336315
C 4.941504 2.664659 -1.388134
C -5.954646 3.710216 0.477977
C -3.189411 -2.274510 2.757911
H 0.003809 -1.638853 1.496072
H -0.097963 1.631507 0.492081
H 1.082637 -3.372763 0.851506
H -0.371945 0.191726 -1.763397
H 5.803993 -2.061902 -0.287180
H -4.479761 -1.348500 0.687700
H 2.970640 4.293245 -1.069002
H 0.635244 3.923250 -0.142788
H -2.630411 0.574198 -2.741140
H -5.033312 0.113556 -2.587544
H 2.885873 -5.070163 0.901325
H -4.253175 2.590789 -0.395881
H -5.456631 3.192875 -1.626191
H 5.258470 -4.432737 0.356976
H -5.430902 4.684467 0.515806
H -7.018775 3.900473 0.257833
H -5.878257 3.237868 1.471931
H -3.722827 -3.068134 2.202236
H -3.886375 -1.449371 2.992682
H -2.761496 -2.684096 3.684070
H 5.604745 0.729885 -1.093531
H 6.818007 1.908525 -1.776708


