%chk=000060879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060879

0 1
 S   -4.491400       1.098800       1.860000    
 O   -1.568200       3.287800      -1.988900    
 O  -0.7608000       1.170100      -1.803300    
 O   -2.953400      -4.024000     -0.6514000    
 O   -1.160700      -5.332600      -1.141700    
 N    1.872000      0.9477000      0.6131000    
 N    3.084600       1.931000     -0.9666000    
 C    3.012500      0.9112000     -0.1400000    
 C    4.032600     -0.1906000     -1.9000000E-03
 C    5.458700      0.3659000      3.7099998E-02
 C    1.492700     -2.5500000E-02   1.614800    
 C    1.172500       2.061900      0.2436000    
 C    6.489800     -0.7579000      0.1413000    
 C   0.6781000      -1.140400       1.016700    
 C    1.940900       2.652400     -0.7321000    
 C  -5.4900002E-02   2.375200      0.8464000    
 C   -1.233300       2.467800      0.1740000    
 C    7.909400     -0.2135000      0.1400000    
 C    1.313400      -2.278300      0.5192000    
 C  -0.7117000      -1.035800      0.9585000    
 C   -2.581700       2.815200      0.7717000    
 C   0.5587000      -3.311400     -3.6400001E-02
 C   -1.466200      -2.068900      0.4028000    
 C  -0.8310000      -3.206900     -9.4599999E-02
 C   -3.670400       1.791800      0.5265000    
 C   -1.146500       2.209000      -1.289800    
 C   -4.130700       1.301200     -0.6757000    
 C   -1.617500      -4.284500     -0.6737000    
 C   -5.171200      0.3440000     -0.4996000    
 C   -5.466500      0.1393000      0.8302000    
 H    3.898100     -0.7907000      0.8978000    
 H    3.922900     -0.8626000     -0.8617000    
 H   0.9212000      0.4809000       2.401600    
 H    2.378100     -0.4013000       2.134600    
 H    5.567300       1.048700      0.8894000    
 H    5.654400      0.9554000     -0.8676000    
 H    6.324500      -1.331300       1.060700    
 H    6.371600      -1.451300     -0.6995000    
 H    1.734500       3.561200      -1.279500    
 H  -6.5499999E-02   2.534900       1.922000    
 H    8.118200      0.3362000     -0.7833000    
 H    8.629900      -1.033700      0.2171000    
 H    8.071200      0.4617000      0.9863000    
 H    2.390100      -2.394900      0.5712000    
 H   -1.226000     -0.1745000       1.369800    
 H   -2.915400       3.772400      0.3496000    
 H   -2.463500       2.992200       1.848600    
 H    1.072100      -4.191800     -0.4144000    
 H   -2.545700      -1.949300      0.3838000    
 H   -3.767300       1.612900      -1.645200    
 H   -5.680000     -0.1659000      -1.307400    
 H   -6.208600     -0.5275000       1.246100    
 H   -1.524800       3.137500      -2.957300    
 H   -3.474700      -4.756700      -1.043500    


%chk=000060879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060879

0 1
S -3.617493 0.202813 -0.427256
O -2.510798 4.751657 -0.473965
O -0.423756 4.224745 -1.321440
O -1.494461 -5.207402 -1.103263
O -1.185618 -6.160882 0.991557
N 1.817012 0.803718 0.747077
N 3.011673 1.863795 -0.860981
C 3.037765 0.882798 0.080905
C 4.215378 -0.002223 0.385277
C 5.407632 0.236285 -0.568645
C 1.502744 -0.150924 1.815915
C 0.946122 1.796110 0.186549
C 6.616796 -0.659444 -0.222754
C 0.842149 -1.451232 1.349807
C 1.744860 2.426122 -0.801924
C -0.410943 1.915113 0.658036
C -1.458852 2.782742 0.387093
C 7.808770 -0.436840 -1.178299
C 0.717803 -2.519859 2.276678
C 0.341665 -1.613828 0.035657
C -2.808127 2.542864 1.074648
C 0.102252 -3.726294 1.900011
C -0.277240 -2.821748 -0.347943
C -0.400057 -3.883952 0.581435
C -3.845924 1.900642 0.178810
C -1.365183 3.924555 -0.539002
C -5.041686 2.421520 -0.290678
C -1.041813 -5.176961 0.225495
C -5.800476 1.513603 -1.120168
C -5.187132 0.284981 -1.295642
H 4.551290 0.165448 1.432267
H 3.908370 -1.068044 0.331799
H 0.857029 0.347299 2.563839
H 2.443438 -0.389482 2.344041
H 5.697083 1.302776 -0.529779
H 5.081586 0.050793 -1.609490
H 6.938456 -0.460172 0.820746
H 6.310681 -1.725716 -0.256540
H 1.435596 3.237852 -1.450416
H -0.685507 1.139256 1.389350
H 7.523786 -0.658017 -2.223917
H 8.665288 -1.084622 -0.916215
H 8.153909 0.613423 -1.141904
H 1.106920 -2.405674 3.296171
H 0.433480 -0.799478 -0.689776
H -3.225610 3.504184 1.419759
H -2.644140 1.915212 1.972114
H 0.001812 -4.558077 2.604804
H -0.667780 -2.948998 -1.361081
H -5.360389 3.439986 -0.055482
H -6.763775 1.766906 -1.569743
H -5.522947 -0.579929 -1.864830
H -2.387585 5.488233 -1.130965
H -1.911655 -6.093129 -1.278341


