%chk=000118765.chk
%nprocshared=8
%mem=28GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118765

0 1
 S   -5.463400     -0.1111000      5.8499999E-02
 O   -6.299700     -0.5084000      -1.284600    
 O   -5.732300       1.278900      0.3808000    
 O   -5.636600      -1.164500       1.043000    
 N    1.021200      0.6645000      2.4999999E-03
 N    4.086400      -4.034600     -1.2200000E-02
 C  -0.2748000      0.7161000      0.6349000    
 C   -1.353100      0.1655000     -0.2957000    
 C    1.527800       1.869700     -0.6567000    
 C   -2.756100      0.2447000      0.3179000    
 C    2.488700       2.623800      0.2584000    
 C    1.787000     -0.5103000     -1.7000000E-03
 C   -3.845100     -0.2370000     -0.6315000    
 C    3.009400       3.918400     -0.3711000    
 C    3.034700     -0.5367000     -0.6337000    
 C    1.310200      -1.665500      0.6264000    
 C    3.911100       4.679000      0.5887000    
 C    3.796800      -1.705100     -0.6375000    
 C    2.072200      -2.833900      0.6227000    
 C    3.315500      -2.853600     -9.3000000E-03
 H  -0.2866000      0.2180000       1.611400    
 H  -0.5248000       1.759800      0.8695000    
 H   -1.342100      0.7327000      -1.235600    
 H   -1.142600     -0.8753000     -0.5664000    
 H    1.967900       1.657100      -1.637700    
 H   0.6826000       2.533100     -0.8859000    
 H   -2.783900     -0.3502000       1.239100    
 H   -2.961600       1.281200      0.6126000    
 H    3.341600       1.994400      0.5362000    
 H    1.972900       2.864300       1.197500    
 H   -3.684500      -1.284200     -0.9070000    
 H   -3.835600      0.3699000      -1.543200    
 H    2.166600       4.558900     -0.6554000    
 H    3.566000       3.686700      -1.286500    
 H    3.469600      0.3193000      -1.137800    
 H   0.3515000      -1.714800       1.131400    
 H    4.780200       4.076400      0.8711000    
 H    4.273600       5.598900      0.1192000    
 H    3.371400       4.953100       1.500800    
 H    4.764700      -1.708500      -1.132500    
 H    1.686600      -3.723200       1.115000    
 H   -6.308300      0.1738000      -1.996500    
 H    3.737300      -4.868100      0.4418000    
 H    4.987200      -4.050000     -0.4715000    


%chk=000118765-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000118765

0 1
S -5.569588 -0.023110 0.089117
O -6.465234 -0.672967 -1.440067
O -5.980298 1.520524 0.371033
O -5.670996 -1.094160 1.302877
N 1.107239 0.655384 -0.032921
N 4.115160 -4.204921 0.016027
C -0.236781 0.722220 0.542365
C -1.355772 0.260824 -0.439015
C 1.650225 1.885414 -0.634220
C -2.753067 0.337918 0.226184
C 2.539781 2.721313 0.322746
C 1.851333 -0.548810 -0.020822
C -3.828013 -0.118619 -0.755108
C 3.074385 4.009357 -0.342777
C 3.194719 -0.604732 -0.502207
C 1.298359 -1.769454 0.473922
C 3.954392 4.850122 0.607438
C 3.934065 -1.802646 -0.493635
C 2.041559 -2.965117 0.490253
C 3.376861 -3.012291 0.004459
H -0.288921 0.118778 1.469909
H -0.439818 1.768255 0.843178
H -1.326378 0.901784 -1.341980
H -1.143720 -0.773269 -0.770909
H 2.219548 1.636273 -1.551598
H 0.799344 2.512738 -0.966504
H -2.771428 -0.302904 1.129280
H -2.956250 1.376894 0.551855
H 3.386468 2.100370 0.674495
H 1.950126 2.984402 1.224331
H -3.761232 -1.178280 -1.046866
H -3.952967 0.532509 -1.634271
H 2.220504 4.623985 -0.695829
H 3.658578 3.741479 -1.247399
H 3.685640 0.296316 -0.881227
H 0.271591 -1.803414 0.850904
H 4.832159 4.270873 0.950189
H 4.325347 5.765790 0.111618
H 3.385824 5.157995 1.504956
H 4.964295 -1.795156 -0.871789
H 1.573093 -3.877683 0.880233
H -7.441914 -0.708946 -1.228856
H 3.714543 -5.061047 0.385583
H 5.066839 -4.230792 -0.335549


