%chk=000086526.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086526

0 1
 S    2.137300       2.123200     -0.9396000    
 O  -0.7089000       2.638500     -0.1290000    
 O   -2.013700       1.243800       1.988000    
 O   -2.709800       1.241700     -0.7544000    
 O   -2.743000      -1.996500      0.9022000    
 O   -3.638500      -1.935000      -1.754900    
 O    4.873700      -1.549800     -0.4333000    
 O    3.366400      -1.910500       1.238200    
 N    1.587800     -0.2278000      0.1931000    
 C   0.8839000      0.9075000     -0.4216000    
 C  -0.1057000       1.533500      0.5509000    
 C   -1.215100      0.5690000       1.009400    
 C   -2.149800      8.7800004E-02 -0.1150000    
 C    2.850500     -0.3696000     -0.5453000    
 C    3.513800      0.9983000     -0.6111000    
 C   -3.315700     -0.8005000      0.3586000    
 C   -4.304100      -1.199300     -0.7357000    
 C    3.691000      -1.354400      0.1996000    
 H   0.3855000      0.5892000      -1.344100    
 H   0.4100000       1.941200       1.430300    
 H  -0.7749000     -0.2985000       1.513200    
 H   -1.566200     -0.4630000     -0.8616000    
 H    2.648600     -0.7738000      -1.546300    
 H    1.027900      -1.075400      0.1103000    
 H    3.994800       1.277100      0.3326000    
 H    4.255900       1.056300      -1.412700    
 H   -3.877900     -0.3011000       1.155200    
 H   -1.338400       3.049300      0.4882000    
 H   -4.781400     -0.3229000      -1.184100    
 H   -5.079500      -1.850400     -0.3184000    
 H   -1.429200       1.488400       2.725500    
 H   -2.010900       1.646000      -1.295400    
 H   -2.291100      -2.463600      0.1786000    
 H   -4.307900      -2.171700      -2.419300    
 H    5.441800      -2.193100      4.1800000E-02


%chk=000086526-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086526

0 1
S 2.329847 2.456571 -0.633243
O -0.810575 2.717849 0.165691
O -1.899930 1.086366 2.005280
O -2.080480 0.866172 -1.362244
O -3.488885 -1.003549 1.559800
O -3.590100 -2.614299 -0.551333
O 5.015805 -1.391162 -0.516734
O 3.048144 -2.494233 0.046090
N 1.584395 -0.118557 -0.285127
C 0.907365 1.158310 -0.552047
C -0.061612 1.505752 0.585564
C -1.101703 0.421159 0.957003
C -1.984496 -0.074720 -0.233355
C 2.954212 -0.174267 -0.809654
C 3.634715 1.118212 -0.313052
C -3.443660 -0.371068 0.222991
C -4.171022 -1.269213 -0.780195
C 3.628125 -1.465732 -0.359933
H 0.392142 1.217716 -1.530843
H 0.522601 1.728135 1.497471
H -0.574614 -0.450427 1.392012
H -1.542361 -1.000556 -0.650732
H 3.009025 -0.172967 -1.928754
H 1.028735 -0.968040 -0.431321
H 3.860650 1.065013 0.762074
H 4.535506 1.364876 -0.892272
H -3.969098 0.592661 0.322412
H -1.393591 2.946193 0.939275
H -3.978290 -0.908462 -1.807907
H -5.258751 -1.280772 -0.571065
H -2.553085 0.399189 2.330711
H -1.839918 1.781115 -1.016784
H -3.384557 -1.982816 1.411035
H -4.043549 -3.287848 -1.112423
H 5.426211 -2.262699 -0.264492


