%chk=000006869.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006869

0 1
 S   -2.025600      -1.293000      -1.170100    
 O   -2.023800       1.956600       1.805100    
 O   -5.978500     -0.6601000       1.375300    
 O   -5.562900       1.384700      0.4576000    
 O    1.518200       1.361300      -1.803500    
 O    3.640500     -5.8899999E-02 -0.9402000    
 N   -3.014400      0.7985000      2.9000000E-03
 N   0.1548000      0.5800000     -9.1300003E-02
 C   -2.176600      0.5307000      -1.169700    
 C   -3.719300      -1.471900     -0.4156000    
 C   -3.813400     -0.2761000      0.5564000    
 C   -1.059200       1.316700     -0.4702000    
 C   -2.064500       1.503700      0.6837000    
 C   -4.748100      -1.449700      -1.554200    
 C   -3.792800      -2.804800      0.3313000    
 C   -5.190700      0.2645000      0.7736000    
 C    1.351700      0.6699000     -0.8023000    
 C    2.444300     -0.1875000     -0.2015000    
 C    4.821800     -0.2097000     -0.2529000    
 C    4.865900      -1.043200      0.8561000    
 C    5.952000      0.4744000     -0.6785000    
 C    6.064200      -1.195400       1.553700    
 C    7.150300      0.3220000      1.9200001E-02
 C    7.206300     -0.5129000       1.135200    
 H   -2.574400      0.9756000      -2.086400    
 H   -3.390500     -0.5196000       1.540300    
 H  -0.8245000       2.272700     -0.9548000    
 H   -4.553200      -2.243400      -2.285400    
 H   -5.762800      -1.615300      -1.175500    
 H   -4.752700     -0.4942000      -2.090700    
 H   -3.631700      -3.653300     -0.3443000    
 H   -3.043600      -2.866700       1.129200    
 H   -4.775100      -2.945100      0.7949000    
 H   0.1335000     -3.3500001E-02  0.7203000    
 H   -6.887900     -0.3245000       1.525900    
 H    2.561100      0.1528000      0.8361000    
 H    2.113300      -1.232200     -0.2182000    
 H    4.006600      -1.612700       1.196200    
 H    5.911500       1.125500      -1.546900    
 H    6.110100      -1.850300       2.418900    
 H    8.039700      0.8532000     -0.3068000    
 H    8.139700     -0.6326000       1.677400    


%chk=000006869-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000006869

0 1
S -1.401712 -0.517734 -1.374303
O -1.958055 0.318255 2.815873
O -5.814336 -1.746252 0.550820
O -5.785013 0.541271 0.119876
O 1.053324 3.484019 0.933680
O 2.745457 0.300217 0.523355
N -2.912480 0.491717 0.584342
N 0.334041 1.271060 0.655453
C -2.008311 1.037993 -0.459921
C -3.157537 -1.325476 -1.091840
C -3.653585 -0.738558 0.312775
C -1.070568 1.578568 0.686897
C -1.990208 0.726115 1.645011
C -4.064253 -0.906649 -2.269350
C -2.983214 -2.852504 -1.019236
C -5.169069 -0.521696 0.314103
C 1.298000 2.250184 0.791114
C 2.743855 1.745908 0.761291
C 3.988753 -0.361721 0.438331
C 5.238788 0.285107 0.586545
C 3.917838 -1.752955 0.188015
C 6.423742 -0.480720 0.480077
C 5.107924 -2.500041 0.085688
C 6.368189 -1.869084 0.230543
H -2.442747 1.761198 -1.162405
H -3.421781 -1.471362 1.108439
H -1.177855 2.666109 0.845343
H -3.614368 -1.237935 -3.219718
H -5.061046 -1.379894 -2.179781
H -4.203809 0.186915 -2.317206
H -2.632335 -3.254198 -1.985991
H -2.256506 -3.137520 -0.238920
H -3.954503 -3.324882 -0.782743
H 0.654738 0.303483 0.541435
H -6.800564 -1.609081 0.546385
H 3.283307 2.283188 -0.042974
H 3.218802 1.989198 1.732335
H 5.305287 1.359431 0.782377
H 2.935836 -2.223394 0.077598
H 7.392704 0.017708 0.594811
H 5.051804 -3.576844 -0.107957
H 7.290766 -2.452945 0.150133


