%chk=000089714.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089714

0 1
 S    2.110600      0.1924000      -2.385800    
 P    2.100000     -0.1439000     -0.4648000    
 O   0.6738000     -0.5374000      0.2044000    
 O    3.038100      -1.372700      4.7200002E-02
 O    2.608900       1.058300      0.5063000    
 N   -2.836700       1.645700     -0.1210000    
 C   -1.738500     -0.4828000      0.1447000    
 C  -0.4943000      0.1605000      9.9500000E-02
 C   -2.900100      0.3091000      2.8999999E-02
 C  -0.4258000       1.537600     -5.4900002E-02
 C   -1.616300       2.227900     -0.1597000    
 C   -1.841700      -1.875600      0.3002000    
 C   -4.135800     -0.3304000      7.3899999E-02
 C   -3.090500      -2.489000      0.3418000    
 C   -4.238700      -1.715100      0.2285000    
 C   -1.591600       3.710500     -0.3265000    
 C    2.709100      -2.706100     -0.3054000    
 C    3.852000       1.690200      0.2524000    
 C    3.735800      -3.642500      0.2951000    
 C    4.081800       2.763400       1.295100    
 H   0.5079000       2.082800     -8.7499999E-02
 H  -0.9556000      -2.499500      0.3904000    
 H   -5.050500      0.2534000     -1.2700000E-02
 H   -3.166400      -3.565400      0.4621000    
 H   -5.217200      -2.185400      0.2599000    
 H   -2.606400       4.115800     -0.3966000    
 H   -1.098600       4.181900      0.5296000    
 H   -1.056200       3.981700      -1.241900    
 H    1.713300      -2.949800      7.6399997E-02
 H    2.704000      -2.807100      -1.394700    
 H    4.651600      0.9442000      0.2917000    
 H    3.839700       2.146000     -0.7416000    
 H    3.511400      -4.682500      4.2500000E-02
 H    4.739400      -3.398800     -6.8999998E-02
 H    3.759500      -3.540600       1.385100    
 H    5.034900       3.272900       1.128400    
 H    3.275400       3.503900       1.270200    
 H    4.084000       2.329500       2.300500    


%chk=000089714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089714

0 1
S 2.192611 0.120332 -2.416607
P 2.104750 -0.220017 -0.387627
O 0.546926 -0.550816 0.332771
O 2.964373 -1.574757 0.231131
O 2.642443 1.018717 0.678842
N -3.005263 1.731980 -0.212401
C -1.859226 -0.441542 0.236322
C -0.602074 0.243216 0.123887
C -3.047314 0.367769 0.058253
C -0.560570 1.609794 -0.136715
C -1.796934 2.326672 -0.304555
C -1.980583 -1.839081 0.508312
C -4.326958 -0.264597 0.158548
C -3.246336 -2.425634 0.599060
C -4.424864 -1.633789 0.423125
C -1.766257 3.812837 -0.592962
C 2.992973 -2.841589 -0.567003
C 4.013486 1.585774 0.461985
C 4.044174 -3.730091 0.089214
C 4.142479 2.754850 1.432106
H 0.391284 2.144507 -0.202332
H -1.070683 -2.430099 0.647967
H -5.211681 0.364180 0.020157
H -3.340723 -3.497019 0.807401
H -5.410134 -2.107287 0.497337
H -2.795279 4.188578 -0.698232
H -1.265378 4.367077 0.223233
H -1.209230 4.026659 -1.524430
H 1.985966 -3.296772 -0.530379
H 3.244981 -2.597135 -1.616573
H 4.752578 0.790723 0.671262
H 4.103131 1.905717 -0.594116
H 4.101218 -4.694662 -0.448207
H 5.037718 -3.251976 0.056205
H 3.785243 -3.931374 1.142137
H 5.144653 3.211160 1.332482
H 3.383866 3.527136 1.220236
H 4.014934 2.413659 2.472965


