%chk=000114103.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114103

0 1
 S    1.816700      0.1993000      0.5611000    
 P    3.386800     -0.5312000     -0.6392000    
 P   -3.621900      8.2999999E-03  0.5068000    
 O    7.449600      0.1031000       1.132800    
 O    3.289300      0.1299000      -2.124800    
 O    3.261300      -2.032700     -0.7342000    
 O   -3.727500     -4.7200002E-02   2.014800    
 N    4.812700     -9.9999997E-05  2.5000000E-02
 N   -2.133200     -0.4591000     -8.3800003E-02
 N   -3.868800       1.529100     -0.1327000    
 N   -4.725600     -0.9682000     -0.2786000    
 C    6.016600     -0.1376000     -0.8057000    
 C    5.102300     -0.4379000       1.397100    
 C    7.199200      0.5944000     -0.1830000    
 C    6.308100      0.2997000       1.965900    
 C  -0.9254000      4.2500000E-02  0.5537000    
 C   0.3004000     -0.4195000     -0.2243000    
 C   -4.975900       2.338200      0.3527000    
 C   -4.776600      -2.385700      5.1199999E-02
 C   -5.074400       3.635400     -0.4461000    
 C   -6.047400      -3.015600     -0.5136000    
 C    3.281200       1.537700      -2.287500    
 C   -6.212300       4.510300      5.6400001E-02
 C   -6.135500      -4.493200     -0.1642000    
 H    6.254400      -1.202400     -0.9200000    
 H    5.846400      0.2696000      -1.806900    
 H    4.248700     -0.2546000       2.055700    
 H    5.292600      -1.518300       1.397400    
 H    7.029100       1.677300     -0.1447000    
 H    8.100600      0.4219000     -0.7797000    
 H    6.550100     -9.1600001E-02   2.959300    
 H    6.111500       1.373600       2.071600    
 H  -0.9602000       1.137800      0.5814000    
 H  -0.8864000     -0.3226000       1.586200    
 H   0.2737000     -4.8999999E-02  -1.254700    
 H   0.3491000      -1.513000     -0.2582000    
 H   -2.034300     -0.4054000      -1.097200    
 H   -3.824900       1.583300      -1.150000    
 H   -4.779100     -0.8568000      -1.290700    
 H   -5.912300       1.777700      0.2557000    
 H   -4.827100       2.561400       1.414700    
 H   -3.891100      -2.890800     -0.3498000    
 H   -4.765300      -2.510200       1.139800    
 H   -5.237600       3.415000      -1.508200    
 H   -4.134200       4.195200     -0.3720000    
 H   -6.071000      -2.904600      -1.604500    
 H   -6.931000      -2.501300     -0.1163000    
 H    3.590900       1.771600      -3.309100    
 H    3.967100       2.025100      -1.590500    
 H    2.267900       1.916000      -2.131000    
 H   -6.266400       5.434200     -0.5279000    
 H   -6.064700       4.780900       1.106900    
 H   -7.173400       3.994200     -3.4100000E-02
 H   -7.051300      -4.926600     -0.5782000    
 H   -6.150600      -4.639900      0.9205000    
 H   -5.283200      -5.044500     -0.5741000    


%chk=000114103-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114103

0 1
S 1.511748 0.767719 0.894864
P 2.790685 -0.054022 -0.836407
P -3.449454 -0.040138 -0.576750
O 6.960409 -0.615126 1.074484
O 3.118289 1.246959 -1.951905
O 2.080020 -1.249479 -1.621692
O -3.363674 0.090878 1.023425
N 4.359246 -0.247003 -0.083175
N -1.907771 -0.115625 -1.385872
N -4.259344 1.277699 -1.364860
N -4.264057 -1.461650 -1.158261
C 5.556792 -0.387553 -0.961840
C 4.505328 -0.998001 1.192748
C 6.784348 0.122046 -0.186365
C 5.759577 -0.476987 1.916761
C -0.735080 0.617559 -0.880261
C -0.084893 -0.104807 0.320062
C -5.271755 2.102034 -0.674946
C -4.267618 -2.723077 -0.386938
C -4.721267 3.443425 -0.135837
C -5.445069 -2.850908 0.608673
C 3.442853 2.582543 -1.409160
C -5.825475 4.300098 0.520254
C -5.417767 -4.195266 1.367108
H 5.709654 -1.451178 -1.242281
H 5.408054 0.201967 -1.883393
H 3.610490 -0.836864 1.820035
H 4.613060 -2.085834 0.995716
H 6.668668 1.207791 0.023873
H 7.710504 -0.049927 -0.759611
H 5.966521 -1.070937 2.822154
H 5.611964 0.589441 2.191784
H -0.006929 0.716906 -1.705498
H -1.044296 1.634770 -0.575831
H 0.192659 -1.137474 0.051300
H -0.756371 -0.098079 1.195798
H -1.733521 -0.946491 -1.956743
H -3.774406 1.691265 -2.164678
H -5.056882 -1.290575 -1.781699
H -6.118422 2.292683 -1.366187
H -5.667103 1.509945 0.171939
H -4.274619 -3.572762 -1.099319
H -3.315238 -2.780905 0.173955
H -4.254650 4.007204 -0.969972
H -3.921101 3.222172 0.595569
H -6.401691 -2.748843 0.056198
H -5.385524 -2.005017 1.319300
H 3.608385 3.214172 -2.294959
H 4.355290 2.549765 -0.784576
H 2.598231 2.974007 -0.812800
H -5.419203 5.255873 0.897321
H -6.282334 3.768724 1.376108
H -6.631688 4.536341 -0.200329
H -6.263553 -4.272012 2.073827
H -4.483386 -4.301232 1.949687
H -5.480934 -5.053113 0.670404


