%chk=000034025.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034025

0 1
 S    1.602000      -2.912300     -5.7300001E-02
 S   -2.132400       2.614500      0.2259000    
 S   -7.322400     -0.7025000      -2.164700    
 O   0.8509000      -2.945600       1.392500    
 O   -1.380200       2.554600      -1.222600    
 O   0.5679000      -2.974000      -1.077100    
 O    2.684300      -3.881000     -3.1800002E-02
 O   -3.181400       3.615600      0.1229000    
 O   -1.118400       2.699400       1.262500    
 O    6.193600       2.387500     -0.2319000    
 N    5.758700      7.5999998E-02 -6.8099998E-02
 N   -6.341600     -0.2991000      0.3990000    
 C    1.602600     -0.1660000     -0.2852000    
 C    2.346200      -1.327900     -0.1464000    
 C   -2.162700     -0.1143000      0.6077000    
 C   -2.902800       1.050000      0.4019000    
 C    3.736800      -1.247200     -7.3799998E-02
 C   0.1317000     -0.2040000     -0.3658000    
 C    4.367800     -5.1000002E-03 -0.1409000    
 C    2.217600       1.075800     -0.3533000    
 C  -0.7077000     -9.6100003E-02  0.6891000    
 C    3.608200       1.156400     -0.2806000    
 C   -2.814400      -1.340200      0.7436000    
 C   -4.294500      0.9884000      0.3320000    
 C   -4.946200     -0.2373000      0.4679000    
 C   -4.206000      -1.401600      0.6737000    
 C    6.562200       1.223000     -0.1175000    
 C    8.027600      0.8844000     -5.7000001E-03
 C   -6.747400     -0.4713000     -0.6960000    
 H    4.349500      -2.137500      3.8500000E-02
 H  -0.2697000     -0.3039000      -1.372000    
 H    1.638000       1.989100     -0.4628000    
 H  -0.3020000      6.0999999E-03   1.693300    
 H    4.024200       2.152300     -0.3398000    
 H   -2.256600      -2.259300      0.9037000    
 H   -4.892800       1.881400      0.1727000    
 H   -4.703100      -2.362100      0.7832000    
 H    6.241400     -0.8144000      3.3000000E-02
 H  -3.9200000E-02  -2.527500       1.426600    
 H   -1.969400       2.410500      -2.000000    
 H    8.223200      0.4038000      0.9570000    
 H    8.625500       1.797200     -7.5599998E-02
 H    8.315600      0.2095000     -0.8166000    


%chk=000034025-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000034025

0 1
S 2.039918 -3.320778 0.463741
S -2.559921 2.944844 0.573158
S -9.224759 -0.695153 -0.532515
O 1.585687 -3.194502 2.251119
O -1.599055 3.276102 -0.978351
O 0.683713 -3.744325 -0.330153
O 3.353307 -4.250734 0.397216
O -3.848624 3.930551 0.581625
O -1.507555 2.969253 1.798071
O 6.202692 2.334488 -0.437765
N 5.929820 0.028653 -0.092219
N -6.418403 -0.376832 -0.312162
C 1.644524 -0.470768 -0.018042
C 2.582132 -1.529417 0.132051
C -2.188503 0.121016 0.006615
C -3.123539 1.182276 0.167119
C 3.971227 -1.382510 0.114701
C 0.194266 -0.678916 -0.038999
C 4.521062 -0.087228 -0.068257
C 2.248730 0.814342 -0.199996
C -0.742631 0.317771 0.088593
C 3.635029 1.018051 -0.220303
C -2.791127 -1.151494 -0.265575
C -4.512619 1.066409 0.062992
C -5.059393 -0.214860 -0.208903
C -4.175950 -1.323751 -0.369187
C 6.706080 1.189969 -0.266297
C 8.209256 0.932630 -0.226067
C -7.615718 -0.519092 -0.401884
H 4.607177 -2.266725 0.243646
H -0.128699 -1.714998 -0.192074
H 1.597968 1.678926 -0.363013
H -0.403783 1.339564 0.282145
H 4.054090 2.014749 -0.367045
H -2.147086 -2.024745 -0.404120
H -5.158851 1.941056 0.189023
H -4.597885 -2.311793 -0.576054
H 6.449430 -0.844050 0.033876
H 0.607457 -3.399166 2.313647
H -1.803815 4.219971 -1.243877
H 8.522115 0.555597 0.765411
H 8.732083 1.879165 -0.422903
H 8.514751 0.191751 -0.987788


