%chk=000008982.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008982

0 1
 S    2.217100       1.319200       1.625300    
 O    1.942500     -0.7338000      -2.239200    
 O    6.313800     -0.2082000      0.1178000    
 O    5.378300       1.865000     -3.1900000E-02
 O   -1.074600     -5.2999998E-03  -2.244100    
 O   -1.092900      -2.303600      0.1222000    
 N    3.097500      0.7044000     -0.7686000    
 N  -6.4400002E-02  0.8860000     -0.3578000    
 C    2.334100       1.785200     -0.1432000    
 C    3.279300     -0.1981000       1.441200    
 C    3.968100     -9.5899999E-02  6.1799999E-02
 C    1.149000       1.369500      -1.030200    
 C    2.072000      0.2466000      -1.542200    
 C    4.257100     -0.2713000       2.618400    
 C    2.346200      -1.419700       1.492600    
 C    5.267600      0.6504000      4.2900000E-02
 C   -1.090000      0.2278000      -1.038200    
 C   -2.245700     -0.2233000     -0.2224000    
 C   -3.345300      0.6084000     -2.3499999E-02
 C   -2.173500      -1.495700      0.3197000    
 C   -4.421400      0.1291000      0.7610000    
 C   -3.231500      -1.967000       1.091000    
 C   -3.417900       1.898500     -0.5737000    
 C   -4.348900      -1.161000       1.311100    
 C   -5.538200      0.9539000      0.9721000    
 C   -4.535100       2.704400     -0.3537000    
 C   -5.593300       2.233100      0.4177000    
 C   -1.328700      -3.552800     -0.5230000    
 C  -0.1214000      -3.945800      -1.303000    
 H    2.745600       2.778900     -0.3416000    
 H    4.097600      -1.076700     -0.4108000    
 H   0.9078000       2.104000      -1.807900    
 H    3.728600     -0.3814000       3.573000    
 H    4.922200      -1.136400       2.515700    
 H    4.884800      0.6235000       2.695400    
 H    2.923200      -2.346500       1.389900    
 H    1.806900      -1.478400       2.445500    
 H    1.602900      -1.414700      0.6894000    
 H  -0.1747000       1.025700      0.6439000    
 H    7.174800      0.2617000      0.1074000    
 H   -3.199400      -2.957300       1.537300    
 H   -2.615300       2.306300      -1.183300    
 H   -5.163600      -1.549200       1.919000    
 H   -6.376900      0.6062000       1.571700    
 H   -4.579100       3.700300     -0.7850000    
 H   -6.462900       2.861000      0.5884000    
 H   -1.542800      -4.307500      0.2417000    
 H   -2.191500      -3.487900      -1.198000    
 H  -0.2646000      -4.911500      -1.796100    
 H   0.1097000      -3.195700      -2.067000    
 H   0.7587000      -4.012400     -0.6544000    


%chk=000008982-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008982

0 1
S 2.322527 0.449173 1.774406
O 2.189283 -1.166581 -2.245492
O 6.740496 0.376143 -0.125007
O 5.331036 2.206709 0.143126
O -1.372930 1.947187 -1.464715
O -1.427015 -1.906103 0.022957
N 3.205131 0.486003 -0.766667
N -0.125899 0.297888 -0.431096
C 2.260484 1.279253 0.054792
C 3.915884 -0.597713 1.331752
C 4.379282 -0.073898 -0.105446
C 1.104099 0.838149 -0.932383
C 2.174828 -0.164743 -1.508805
C 4.958533 -0.382655 2.445973
C 3.510017 -2.083807 1.222178
C 5.482301 0.979352 -0.017881
C -1.347792 0.880721 -0.764959
C -2.599270 0.204250 -0.248530
C -3.837472 0.965189 -0.117223
C -2.632687 -1.179172 0.074305
C -5.053174 0.287318 0.300515
C -3.841047 -1.838599 0.458839
C -3.929378 2.381531 -0.358030
C -5.022665 -1.116419 0.565024
C -6.277739 1.017792 0.451782
C -5.135783 3.067507 -0.192980
C -6.326714 2.389504 0.210985
C -1.453345 -3.386649 -0.023845
C -0.021738 -3.842285 -0.295069
H 2.485742 2.347199 0.161456
H 4.755141 -0.931106 -0.689029
H 0.852655 1.648423 -1.640893
H 4.573647 -0.773153 3.404057
H 5.892888 -0.924557 2.206935
H 5.189060 0.686788 2.586771
H 4.408847 -2.714521 1.076279
H 3.003841 -2.413567 2.146095
H 2.825211 -2.255911 0.374167
H -0.139056 -0.612300 0.043111
H 7.452197 1.068517 -0.043456
H -3.834518 -2.908418 0.681503
H -3.040165 2.911664 -0.699691
H -5.948470 -1.620948 0.865333
H -7.175909 0.472733 0.766226
H -5.167268 4.146339 -0.382699
H -7.263223 2.944932 0.329687
H -1.822076 -3.778361 0.945006
H -2.141906 -3.704198 -0.830873
H 0.007665 -4.943617 -0.382003
H 0.360534 -3.404365 -1.233032
H 0.647713 -3.544619 0.530845


