%chk=000090597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090597

0 1
 S   -4.087000      -1.785500      -1.087400    
 P   -3.486900     -0.2679000     -2.3399999E-02
 O   -1.879100     -7.4699998E-02  0.1312000    
 O   -3.940500       1.208100     -0.5356000    
 O   -3.966300     -0.2306000       1.530800    
 O   0.8394000      -1.827700      -1.015900    
 N   0.2884000      0.3908000     -0.5933000    
 N   0.6658000       1.636800     -0.1739000    
 N    1.830600       1.885200      0.2048000    
 C    2.512100     -0.4270000     -0.2030000    
 C   -1.103000      0.2832000     -0.9982000    
 C    1.143600     -0.6987000     -0.6428000    
 C    2.792600      0.8698000      0.2054000    
 C    3.492300      -1.424200     -0.1939000    
 C    4.091900       1.168200      0.6330000    
 C    4.781300      -1.113100      0.2340000    
 C    5.081700      0.1830000      0.6476000    
 C   -5.306400       1.583300     -0.4805000    
 C   -3.750400      -1.359100       2.361200    
 H   -1.441100       1.241400      -1.406100    
 H   -1.199000     -0.4900000      -1.766200    
 H    3.271000      -2.438200     -0.5139000    
 H    4.342500       2.175100      0.9588000    
 H    5.550600      -1.879400      0.2451000    
 H    6.085800      0.4279000      0.9815000    
 H   -5.401000       2.608400     -0.8474000    
 H   -5.668900       1.541800      0.5496000    
 H   -5.905300      0.9246000      -1.114000    
 H   -4.496100      -2.127600       2.143700    
 H   -3.855800      -1.049600       3.403900    
 H   -2.744000      -1.758600       2.210300    


%chk=000090597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090597

0 1
S -3.918771 -1.165293 -1.736689
P -3.303370 0.198697 -0.303570
O -1.883141 1.138111 -0.669864
O -4.265297 1.578140 0.041077
O -3.118846 -0.409916 1.302413
O -0.043272 -1.390311 -0.087683
N 0.381360 0.622527 -1.205053
N 1.195174 1.752486 -1.570691
N 2.414164 1.815027 -1.116920
C 2.146233 -0.334202 0.131286
C -0.974628 0.702171 -1.740289
C 0.761872 -0.452558 -0.358685
C 2.924791 0.797526 -0.262904
C 2.709286 -1.313628 0.985573
C 4.258976 0.943571 0.199380
C 4.031901 -1.162913 1.440251
C 4.805848 -0.034293 1.047262
C -5.637605 1.340549 0.548013
C -2.804684 -1.850929 1.498983
H -0.966681 1.484429 -2.513028
H -1.292323 -0.277381 -2.143373
H 2.095542 -2.172246 1.274913
H 4.827183 1.822055 -0.120137
H 4.470676 -1.917273 2.101517
H 5.833770 0.071407 1.409058
H -6.072740 2.346592 0.633795
H -5.604853 0.848555 1.535377
H -6.219599 0.732796 -0.169441
H -3.530999 -2.479778 0.953253
H -2.901135 -1.996972 2.585280
H -1.780031 -2.061247 1.156297


