%chk=000002320.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002320

0 1
 S    1.395700       2.180200       1.153900    
 P   0.3576000      -3.427100       1.689000    
 O  -0.2332000      -2.004500       2.180700    
 O   -4.389100       1.673200       2.180500    
 O    1.198500       1.078400      -1.235500    
 O  -0.1357000      -3.507000      0.1511000    
 O    1.946800      -3.158700       1.556200    
 O  -2.5699999E-02  -4.602600       2.539400    
 N   -2.584400       2.044400      0.7298000    
 N   -2.619000      -1.783600      -1.677200    
 N   -1.170200     -0.2634000      -2.859400    
 N   -4.157400     -0.9620000     -7.0200004E-02
 C   -1.258600       2.391700      0.6353000    
 C   -3.307800       1.756300     -0.4999000    
 C  -0.2859000       1.662600       1.232700    
 C  -0.5557000      0.4010000       2.036700    
 C   -2.728700      0.5790000      -1.229800    
 C   8.6400002E-02 -0.8435000       1.425900    
 C   -1.028300       3.643900     -0.1672000    
 C   -3.136600     -0.7230000      -1.023200    
 C   -3.219200       1.969300       1.962100    
 C   -1.732300      0.7504000      -2.169000    
 C    1.940900       1.378700     -0.3085000    
 C   -1.653800      -1.486000      -2.568100    
 C    3.376700       1.001600     -0.3514000    
 C   -1.057100      -2.632700      -3.311200    
 C    3.775600     -0.1491000      -1.031700    
 C    4.326800       1.798400      0.2878000    
 C    5.124100     -0.5033000      -1.072500    
 C    5.675300       1.444100      0.2468000    
 C    6.073900      0.2933000     -0.4333000    
 H   -4.371500       1.596600     -0.2887000    
 H   -3.291700       2.643100      -1.146300    
 H  -0.1869000      0.5347000       3.062500    
 H   -1.616300      0.1701000       2.155600    
 H    1.175300     -0.7464000       1.410400    
 H  -0.2628000     -0.9793000      0.3978000    
 H  -0.2690000       4.286100      0.2915000    
 H   -1.930400       4.264900     -0.2187000    
 H  -0.7111000       3.418600      -1.187700    
 H   -2.555800       2.252600       2.797500    
 H   -1.356300       1.730100      -2.437600    
 H   -4.442000      -1.927600      4.5000002E-02
 H   -4.199100     -0.3702000      0.7499000    
 H   2.0500001E-02  -2.677600      -3.126100    
 H   -1.498700      -3.583800      -2.997700    
 H   -1.226500      -2.511500      -4.385400    
 H    3.048300     -0.7841000      -1.530900    
 H    4.067500       2.718500      0.8026000    
 H    5.434500      -1.399800      -1.601100    
 H    6.416400       2.067700      0.7384000    
 H    7.124100      1.8400000E-02 -0.4662000    
 H   2.1299999E-02  -4.331400     -0.3567000    
 H    2.537200      -3.907500       1.326200    


%chk=000002320-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002320

0 1
S 1.651356 1.668799 1.550427
P -1.267579 -3.536105 1.693167
O -0.088328 -2.491419 2.455045
O -4.358477 1.277247 1.865975
O 1.356922 0.878316 -1.080846
O -0.906990 -3.644430 0.104014
O -0.864792 -4.982166 2.519740
O -2.801562 -3.112662 2.003453
N -2.401847 1.799988 0.688381
N -1.945343 -1.880358 -1.372460
N -1.298916 -0.524503 -3.241223
N -3.429024 -1.134488 0.318790
C -0.977352 2.061100 0.730283
C -3.092710 1.653931 -0.635492
C -0.147236 1.231304 1.445525
C -0.509025 -0.050643 2.179302
C -2.600978 0.436883 -1.388781
C 0.342912 -1.274530 1.736287
C -0.536877 3.274594 -0.061216
C -2.698631 -0.872916 -0.785156
C -3.152161 1.670763 1.850336
C -1.921265 0.530383 -2.604344
C 2.192816 1.247207 -0.227919
C -1.279970 -1.692049 -2.567391
C 3.650307 1.411176 -0.488049
C -0.505279 -2.866370 -3.098767
C 4.108704 1.155651 -1.811389
C 4.578881 1.802402 0.513233
C 5.474734 1.293605 -2.125091
C 5.945019 1.939257 0.193328
C 6.395709 1.686243 -1.124170
H -4.173640 1.608374 -0.405959
H -2.908069 2.560589 -1.237640
H -0.365658 0.075877 3.270150
H -1.574603 -0.290863 2.023462
H 1.396292 -1.137811 2.028884
H 0.294030 -1.429512 0.641326
H 0.388383 3.699423 0.361232
H -1.319411 4.053535 -0.048910
H -0.318311 3.008417 -1.112699
H -2.594750 1.946165 2.766489
H -1.829249 1.499613 -3.109749
H -3.318177 -2.024304 0.904387
H -4.001656 -0.386628 0.738756
H 0.261866 -2.510704 -3.801112
H -0.043207 -3.437178 -2.274395
H -1.178298 -3.557256 -3.640797
H 3.380784 0.851346 -2.570432
H 4.241825 1.993886 1.537668
H 5.823547 1.095407 -3.144018
H 6.658218 2.239036 0.968046
H 7.458434 1.791786 -1.368316
H -1.628317 -2.776301 -0.751251
H -1.636448 -5.346907 3.023984


