%chk=000089139.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089139

0 1
 S    3.227700       1.104500      -1.033000    
 P   -4.430200     -0.2058000      0.3754000    
 P    5.038400       1.259800      2.2299999E-02
 O   -4.244000      -1.397100     -0.6946000    
 O   -4.660800       1.110300     -0.5260000    
 O   -5.476300     -0.4348000       1.413400    
 O    5.402400     -0.1478000      0.7494000    
 O    6.259000       1.444900      -1.036100    
 O    4.967400       2.393600       1.012300    
 N  -0.4108000      0.4142000      0.6038000    
 C   -2.778600      1.5799999E-02   1.080100    
 C   -1.727300      0.2477000      5.7999999E-03
 C   -4.214800      -2.739100     -0.2418000    
 C   -5.051400       2.343000      5.2299999E-02
 C   0.5976000      0.6629000     -0.4223000    
 C    1.971100      0.7963000      0.2237000    
 C   -3.495400      -3.599000      -1.270000    
 C   -5.638500      -3.217000      1.9999999E-04
 C   -6.536900       2.296000      0.3761000    
 C   -4.715900       3.474700     -0.9070000    
 C    5.514800      -1.334500     -1.7100001E-02
 C    6.321000      -2.354900      0.7718000    
 C    6.496000      -3.652500      3.4000000E-03
 C    7.585500       1.518700     -0.5422000    
 H   -2.531900     -0.8741000       1.669700    
 H   -2.812700      0.8645000       1.772300    
 H   -1.996500       1.135900     -0.5773000    
 H   -1.721000     -0.6050000     -0.6823000    
 H   -3.654600      -2.790500      0.6986000    
 H   -4.485400       2.496800      0.9779000    
 H  -0.4262000       1.189400       1.266000    
 H   0.3501000       1.580700     -0.9706000    
 H   0.6069000     -0.1697000      -1.137100    
 H    1.984600       1.625500      0.9391000    
 H    2.235700     -0.1188000      0.7643000    
 H   -4.005100      -3.558200      -2.238900    
 H   -3.436700      -4.642800     -0.9474000    
 H   -2.478700      -3.225700      -1.433600    
 H   -6.262300      -3.046300     -0.8842000    
 H   -5.658200      -4.285400      0.2388000    
 H   -6.114800      -2.689300      0.8288000    
 H   -6.900600       3.279100      0.6924000    
 H   -7.117100       1.972900     -0.4952000    
 H   -6.758000       1.594800       1.183400    
 H   -3.644400       3.475600      -1.134500    
 H   -4.984600       4.448400     -0.4862000    
 H   -5.239700       3.346700      -1.860700    
 H    4.508900      -1.716800     -0.2180000    
 H    6.001800      -1.122600     -0.9742000    
 H    7.303100      -1.934900       1.020000    
 H    5.826900      -2.552800       1.730500    
 H    5.526600      -4.107800     -0.2232000    
 H    7.024600      -3.481600     -0.9397000    
 H    7.077500      -4.367500      0.5938000    
 H    7.665800       2.317500      0.1997000    
 H    7.877000      0.5654000     -9.5200002E-02
 H    8.256800       1.739300      -1.375700    


%chk=000089139-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089139

0 1
S 3.479617 -1.974861 -0.586727
P -4.248494 -0.097993 1.142895
P 4.520147 0.050281 -0.366443
O -4.397530 -1.157112 -0.239899
O -4.113266 1.505492 0.492890
O -5.422617 -0.302404 2.209117
O 6.020658 -0.191933 0.475570
O 4.993696 0.272342 -2.026322
O 3.687431 1.220890 0.315839
N -0.117164 -0.549887 0.991200
C -2.479513 -0.370542 1.651654
C -1.476680 -0.256050 0.484373
C -5.622001 -2.015086 -0.382752
C -5.345107 2.309238 0.193065
C 0.918255 -0.815061 -0.031482
C 2.067284 -1.585628 0.639953
C -5.177464 -3.180798 -1.271637
C -6.777325 -1.196653 -0.978079
C -5.326864 2.623447 -1.308260
C -5.297133 3.553428 1.087928
C 6.894931 -1.340851 0.103931
C 8.098523 -1.288920 1.047472
C 9.080628 -2.448457 0.764697
C 5.491269 1.614263 -2.424146
H -2.424026 -1.377650 2.098965
H -2.268601 0.374518 2.440228
H -1.570518 0.745827 0.008150
H -1.728985 -1.009295 -0.283239
H -5.903212 -2.372658 0.627486
H -6.232852 1.698454 0.454357
H 0.199669 0.159816 1.666552
H 1.319167 0.104956 -0.512162
H 0.471774 -1.440077 -0.826440
H 2.496044 -1.014815 1.480626
H 1.731674 -2.569219 1.007009
H -4.861279 -2.810447 -2.262730
H -6.012744 -3.891417 -1.411462
H -4.330469 -3.718926 -0.813307
H -6.472703 -0.742085 -1.937891
H -7.650643 -1.849663 -1.162307
H -7.092810 -0.400261 -0.281290
H -6.216304 3.218574 -1.587701
H -4.423251 3.203874 -1.565067
H -5.322441 1.693405 -1.901675
H -5.321930 3.265772 2.152614
H -6.162875 4.209350 0.879714
H -4.371459 4.124588 0.896612
H 6.325099 -2.283420 0.226116
H 7.203988 -1.239919 -0.954922
H 8.608663 -0.315551 0.926552
H 7.736338 -1.337546 2.090688
H 8.594637 -3.431815 0.905836
H 9.468324 -2.407283 -0.270437
H 9.945650 -2.399697 1.449297
H 4.727194 2.385986 -2.225793
H 6.428093 1.863895 -1.893213
H 5.677304 1.528181 -3.504801


