%chk=000013792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013792

0 1
 S    1.715300     -0.9642000       1.211600    
 O   -1.302000      -1.541800       1.171200    
 O   -1.954600      -4.386500      0.2881000    
 O   -3.475000      -2.861700      -1.369700    
 O    5.523100     -0.2607000      -1.891600    
 O    6.904800     -0.5661000     -0.1206000    
 N   -3.018300     -0.1735000      0.2699000    
 N   -4.433900       1.537900      5.7700001E-02
 N  -0.9058000       1.006900      5.4200001E-02
 N   -1.255300       3.399300     -0.2781000    
 N   -3.436900       4.379000     -0.3662000    
 N    6.095400       1.874100      0.8747000    
 C   -1.281900      -3.331200     -0.3988000    
 C   -2.293000      -2.293100     -0.8443000    
 C  -0.4363000      -2.552200      0.6038000    
 C   -2.551900      -1.545800      0.4550000    
 C   0.7558000      -1.857100     -3.8800001E-02
 C   -2.245100      0.9400000      9.3999997E-02
 C   -4.325500      0.2384000      0.2397000    
 C   -3.141100       1.989200     -3.4899998E-02
 C    2.998400     -0.2895000      0.1314000    
 C    4.033100      0.5561000      0.8797000    
 C   -2.601600       3.257100     -0.2271000    
 C    5.164200       1.134200      1.7100001E-02
 C  -0.5021000       2.281900     -0.1363000    
 C    5.970000      2.8999999E-02 -0.6422000    
 H  -0.7211000      -3.774200      -1.226600    
 H   -1.854100      -1.634200      -1.602400    
 H  -0.1056000      -3.201000       1.424000    
 H   -3.298700      -2.047900       1.082700    
 H   0.4320000      -1.142900     -0.8011000    
 H    1.404600      -2.599700     -0.5148000    
 H   -1.276000      -5.013100      0.5926000    
 H   -3.827400      -3.484800     -0.7116000    
 H   -5.150900     -0.4509000      0.3540000    
 H    2.523400      0.3230000     -0.6423000    
 H    3.492200      -1.133600     -0.3591000    
 H    4.471000     -6.4800002E-02   1.674600    
 H    3.515100       1.385600       1.380700    
 H    4.776500       1.810800     -0.7515000    
 H   0.5712000       2.432600     -0.1821000    
 H   -3.021000       5.290000     -0.5043000    
 H   -4.441900       4.275600     -0.3278000    
 H    5.599300       2.638000       1.333000    
 H    6.430400       1.271100       1.625900    
 H    6.039600     -0.9846000      -2.305900    


%chk=000013792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013792

0 1
S 1.687286 -1.020745 1.320445
O -1.428414 -1.845173 1.325429
O -2.054834 -4.491270 -0.105253
O -3.670586 -2.866337 -1.378086
O 5.697008 -0.188821 -1.615165
O 7.156175 -0.301090 0.186056
N -2.980619 -0.186932 0.507982
N -3.993381 1.780311 1.140930
N -1.384511 0.732491 -1.189987
N -1.598347 3.172335 -1.424117
N -3.138581 4.447926 -0.163884
N 6.029448 2.082787 1.140970
C -1.334760 -3.301469 -0.593147
C -2.461328 -2.267394 -0.855220
C -0.469038 -2.642324 0.504532
C -2.662399 -1.614784 0.552386
C 0.642333 -1.758770 -0.077521
C -2.373954 0.827612 -0.250063
C -3.932475 0.452801 1.325083
C -3.018518 2.027583 0.155245
C 3.082699 -0.335268 0.233447
C 4.069960 0.448539 1.113428
C -2.592234 3.233298 -0.474057
C 5.197976 1.201503 0.312742
C -1.063652 1.951164 -1.722400
C 6.131144 0.186004 -0.339247
H -0.757094 -3.540661 -1.505953
H -2.130854 -1.509657 -1.581581
H -0.038169 -3.395253 1.191566
H -3.498431 -2.110741 1.079661
H 0.217976 -0.932378 -0.675640
H 1.319138 -2.375779 -0.698924
H -1.433827 -5.245267 0.038376
H -3.730147 -3.777706 -0.977454
H -4.546043 -0.109542 2.026229
H 2.624476 0.324674 -0.525162
H 3.572217 -1.179445 -0.280922
H 4.545849 -0.217840 1.858681
H 3.514605 1.224751 1.675675
H 4.714709 1.785696 -0.491672
H -0.280174 1.951711 -2.486386
H -2.799627 5.279866 -0.642436
H -3.874252 4.507375 0.537159
H 5.509357 2.763839 1.698265
H 6.768417 1.594796 1.656016
H 6.323876 -0.867716 -1.988526


