%chk=000001260.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001260

0 1
 S    2.399100       1.545400      -1.056800    
 S   -1.300800      -2.693300     -0.6875000    
 O    2.706500       1.798600      -2.451600    
 O    2.963500       2.381200     -1.4000000E-02
 O    4.933900     -0.8685000      0.8941000    
 O  -0.9543000      -3.556100      -1.800000    
 O   -2.528700      -1.921700     -0.7017000    
 O    5.139900      0.8013000       3.013600    
 O   -3.488700       1.679900     -0.4745000    
 N    2.706600     -8.9800000E-02 -0.6966000    
 N  -1.3000000E-02  -1.634500     -0.3474000    
 N    3.904700      0.5522000       2.400000    
 C    1.375900      -2.086700     -0.6134000    
 C    2.591500     -0.5228000      0.7231000    
 C    2.209500      -1.996800      0.6529000    
 C    2.067400      -1.123200      -1.568800    
 C    3.931500     -0.3116000       1.336700    
 C   0.6409000       1.584700     -0.8829000    
 C   -1.313100      -3.683500      0.7895000    
 C  -0.1750000       1.321100      -1.983100    
 C   6.9200002E-02   1.880500      0.3545000    
 C   -1.562700       1.353500      -1.845900    
 C   -1.318500       1.912900      0.4916000    
 C   -2.134500       1.649500     -0.6086000    
 C   -4.022800       1.330800      0.8016000    
 C   -5.389100      0.6896000      0.6041000    
 C   -6.028200      0.3039000       1.935100    
 C   -7.410600     -0.2966000       1.736000    
 H    1.380700      -3.103600      -1.015800    
 H    1.812200      2.7300000E-02   1.253500    
 H    1.669300      -2.317500       1.550200    
 H    3.094100      -2.638700      0.5579000    
 H    1.406400     -0.7313000      -2.339400    
 H    2.886800      -1.638600      -2.085600    
 H  -0.1372000     -0.9170000      0.3759000    
 H    3.081000      0.9287000       2.855000    
 H   -1.470100      -3.032100       1.651200    
 H  -0.3647000      -4.217900      0.8687000    
 H   -2.135400      -4.397900      0.7097000    
 H   0.2431000       1.104100      -2.961600    
 H   0.6834000       2.101600       1.222700    
 H   -2.193500       1.149200      -2.706700    
 H   -1.722600       2.176500       1.464500    
 H    5.393200       1.624000       2.561600    
 H   -3.385800      0.6044000       1.322900    
 H   -4.113500       2.238600       1.409000    
 H   -5.288100     -0.1937000     -3.9099999E-02
 H   -6.039000       1.384900      5.8200002E-02
 H   -6.111100       1.187300       2.578800    
 H   -5.392400     -0.4201000       2.457900    
 H   -8.081400      0.4163000       1.246000    
 H   -7.849200     -0.5669000       2.701700    
 H   -7.360500      -1.200500       1.120600    


%chk=000001260-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001260

0 1
S 2.255416 1.551995 -0.854730
S -1.187213 -2.429876 -0.088696
O 2.674343 1.834055 -2.389177
O 2.855343 2.432529 0.399639
O 5.530077 -1.197162 1.440334
O -0.927555 -2.509848 -1.698460
O -2.427692 -1.566323 0.521411
O 6.536915 1.299291 1.400457
O -3.760488 1.332041 -0.622237
N 2.865483 -0.183697 -0.461618
N 0.327678 -1.857644 0.852788
N 5.133218 1.056055 1.238814
C 1.639945 -2.176102 0.215878
C 3.194818 -0.415778 0.988636
C 2.757792 -1.877713 1.251282
C 2.062563 -1.320484 -1.016653
C 4.705352 -0.232937 1.238494
C 0.390969 1.599402 -0.748533
C -1.324723 -4.207619 0.567995
C -0.341052 1.461197 -1.945965
C -0.215743 1.723174 0.515689
C -1.740871 1.403774 -1.861948
C -1.620166 1.647161 0.592762
C -2.383915 1.459810 -0.595312
C -4.465046 1.054071 0.656961
C -5.920330 0.744353 0.307506
C -6.757618 0.434774 1.571096
C -8.228137 0.107612 1.234166
H 1.626614 -3.247497 -0.048336
H 2.652356 0.304649 1.634496
H 2.409644 -2.032805 2.284203
H 3.628196 -2.535448 1.078347
H 1.195812 -0.985018 -1.613390
H 2.714867 -1.915654 -1.680656
H 0.167410 -0.839157 0.999054
H 4.565623 1.877705 0.967028
H -1.400346 -4.119547 1.658974
H -0.424355 -4.747706 0.245738
H -2.235153 -4.615518 0.107173
H 0.177084 1.404701 -2.908404
H 0.390733 1.914266 1.407536
H -2.355886 1.275576 -2.756432
H -2.109047 1.728355 1.566370
H 6.890680 0.359579 1.515345
H -3.969978 0.189385 1.140792
H -4.396634 1.945811 1.313780
H -5.945359 -0.119734 -0.382816
H -6.358779 1.605705 -0.232148
H -6.721974 1.301871 2.262171
H -6.303723 -0.419056 2.113854
H -8.712114 0.952116 0.708910
H -8.812797 -0.102005 2.148228
H -8.296439 -0.779588 0.577404


