%chk=000089138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089138

0 1
 S    3.892800      0.3330000     -0.9671000    
 P   -3.880000     -4.2800002E-02  0.3694000    
 P    5.697300      0.3276000      0.1101000    
 O   -3.818000      -1.291800     -0.6477000    
 O   -3.949200       1.251600     -0.5889000    
 O   -4.957100     -0.1076000       1.398700    
 O    5.890700      -1.080000      0.9002000    
 O    6.943100      0.3284000     -0.9350000    
 O    5.744100       1.503300       1.051500    
 N   0.1810000      0.1285000      0.6373000    
 C   -2.222100      2.0700000E-02   1.091100    
 C   -1.138900      8.6400002E-02  2.5500000E-02
 C   -3.946500      -2.608100     -0.1399000    
 C   -4.203900       2.543800     -6.8000004E-02
 C    1.222800      0.2177000     -0.3816000    
 C   -3.317600      -3.586600      -1.120100    
 C   -5.417800      -2.911400      9.8399997E-02
 C   -5.688800       2.678700      0.2333000    
 C   -3.731200       3.588600      -1.067400    
 C    2.595000      0.2225000      0.2805000    
 C    5.876500      -2.303300      0.1850000    
 C    8.227700      0.7007000     -0.4656000    
 H   -2.167400      0.8965000       1.747300    
 H   -2.084700     -0.8654000       1.720700    
 H   -1.221600     -0.7901000     -0.6270000    
 H   -1.298900      0.9738000     -0.5979000    
 H   -3.406600      -2.682300      0.8107000    
 H   -3.634800       2.672000      0.8596000    
 H   0.2461000      0.9279000       1.266900    
 H    1.087500       1.133500     -0.9711000    
 H    1.145700     -0.6402000      -1.061400    
 H   -2.263300      -3.337800      -1.282400    
 H   -3.381400      -4.615800     -0.7540000    
 H   -3.808100      -3.529800      -2.098000    
 H   -5.840700      -2.298600      0.8969000    
 H   -5.561300      -3.959700      0.3802000    
 H   -6.008100      -2.709300     -0.8021000    
 H   -5.997300       2.042000       1.064900    
 H   -5.942300       3.709200      0.5031000    
 H   -6.291900       2.386400     -0.6332000    
 H   -2.664000       3.458700      -1.277300    
 H   -3.892400       4.603300     -0.6913000    
 H   -4.255100       3.480000      -2.023300    
 H    2.747700     -0.6928000      0.8625000    
 H    2.694300       1.074600      0.9615000    
 H    6.218400      -3.099600      0.8508000    
 H    6.545200      -2.253300     -0.6779000    
 H    4.859600      -2.530900     -0.1431000    
 H    8.958600      0.5105000      -1.255100    
 H    8.491300      0.1104000      0.4160000    
 H    8.236700       1.765300     -0.2187000    


%chk=000089138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089138

0 1
S 4.324945 -2.125674 -0.155988
P -3.432284 0.045270 1.116865
P 5.329956 -0.072934 -0.172464
O -3.578635 -1.363569 0.102189
O -3.254586 1.412369 0.053037
O -4.627295 0.192780 2.170257
O 6.826375 -0.188685 0.708392
O 5.829935 -0.040108 -1.837633
O 4.479284 1.159359 0.361524
N 0.685109 -0.530657 1.137054
C -1.679720 -0.158170 1.704566
C -0.663231 -0.331920 0.557285
C -4.927558 -1.980398 -0.125291
C -4.422317 2.327649 -0.187353
C 1.739762 -0.935842 0.182016
C -4.669916 -3.487698 -0.226146
C -5.554094 -1.385177 -1.395332
C -4.176899 2.927630 -1.575023
C -4.492262 3.367361 0.940281
C 2.876895 -1.599422 0.976086
C 7.703178 -1.359682 0.483714
C 6.326626 1.252442 -2.377717
H -1.453380 0.739535 2.308520
H -1.659500 -1.040553 2.366440
H -0.924257 -1.233738 -0.024641
H -0.727021 0.539432 -0.133530
H -5.552973 -1.750886 0.760581
H -5.350381 1.720040 -0.185385
H 0.983428 0.282408 1.694623
H 2.146713 -0.090422 -0.416225
H 1.308629 -1.667695 -0.525462
H -4.199566 -3.863818 0.697962
H -5.622036 -4.027623 -0.381816
H -3.998889 -3.707574 -1.075348
H -5.737514 -0.301680 -1.284201
H -6.522572 -1.874884 -1.608173
H -4.884831 -1.539020 -2.260085
H -4.119363 2.134504 -2.339838
H -4.996513 3.620511 -1.840984
H -3.226729 3.489985 -1.584681
H -4.675198 2.870990 1.908537
H -5.316640 4.080275 0.750965
H -3.546516 3.935787 0.995024
H 2.541868 -2.531721 1.458986
H 3.279448 -0.919464 1.745502
H 8.561952 -1.195086 1.151214
H 8.039120 -1.408700 -0.567821
H 7.180732 -2.294688 0.758074
H 6.550438 1.039653 -3.433331
H 7.241662 1.577378 -1.849804
H 5.547718 2.030530 -2.298422


