%chk=000026558.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026558

0 1
 S   -1.531500      -1.459600       1.024200    
 O   0.4776000       2.080500      0.6151000    
 O  -0.9897000       2.266800      -1.154900    
 N    3.993400       2.746400     -0.2693000    
 C   -2.944100      0.8835000      0.4920000    
 C    2.845200       2.418600      0.5753000    
 C   -1.791000       1.667700       1.063100    
 C    1.561700       2.419800     -0.2396000    
 C   -2.922700     -0.5040000      0.4319000    
 C   -4.039400       1.599200      2.4000000E-02
 C  -0.7590000       2.038700      2.4800001E-02
 C  -0.5072000      -1.572300     -0.4685000    
 C   -4.014000      -1.187300     -0.1046000    
 C   0.7583000      -2.349200     -0.2309000    
 C    5.222800       2.760900      0.5225000    
 C    4.106300       1.791500      -1.371200    
 C   -5.130600      0.9157000     -0.5127000    
 C   -5.117800     -0.4775000     -0.5771000    
 C   0.7672000      -3.723000     -0.4351000    
 C    1.902400      -1.683600      0.1894000    
 C    1.940900      -4.443800     -0.2149000    
 C    3.076100      -2.404500      0.4094000    
 C    3.095300      -3.784600      0.2073000    
 H    2.970400       1.448700       1.074200    
 H    2.745000       3.159300       1.379400    
 H   -2.156700       2.606000       1.500700    
 H   -1.321500       1.132800       1.895300    
 H    1.581200       1.671800      -1.037900    
 H    1.386700       3.410800     -0.6758000    
 H   -4.062400       2.684700      6.5399997E-02
 H  -0.2607000     -0.5690000     -0.8299000    
 H   -1.089200      -2.048400      -1.266700    
 H   -4.024700      -2.273000     -0.1649000    
 H    6.076000       3.063700     -9.4800003E-02
 H    5.444400       1.780900      0.9609000    
 H    5.149800       3.493500       1.334000    
 H    3.334600       1.949700      -2.130800    
 H    4.075200      0.7502000      -1.030700    
 H    5.054500       1.935600      -1.903900    
 H   -5.989900       1.468400     -0.8812000    
 H   -5.967300      -1.009400     -0.9954000    
 H  -0.1263000      -4.246900     -0.7629000    
 H    1.896600     -0.6112000      0.3521000    
 H    1.955900      -5.518300     -0.3720000    
 H    3.974800      -1.890700      0.7383000    
 H    4.009200      -4.345800      0.3787000    


%chk=000026558-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026558

0 1
S -1.624992 -1.621022 1.089805
O 0.286669 2.938530 0.686061
O -0.157536 1.182489 -0.782800
N 3.943113 2.658506 -0.256270
C -2.822637 0.916460 0.532122
C 2.717011 2.444180 0.542629
C -1.627263 1.591357 1.184663
C 1.544535 3.241251 -0.061771
C -2.939992 -0.498840 0.428214
C -3.873127 1.718564 0.015957
C -0.459379 1.845781 0.236507
C -0.740832 -2.048807 -0.587531
C -4.085644 -1.077519 -0.168580
C 0.622342 -2.629453 -0.315587
C 5.184961 2.578235 0.538630
C 4.002484 1.811474 -1.465136
C -5.008060 1.142259 -0.594240
C -5.117100 -0.263730 -0.686519
C 0.784375 -4.006772 -0.011998
C 1.772950 -1.798303 -0.360607
C 2.066740 -4.542646 0.240806
C 3.056102 -2.333604 -0.112631
C 3.207331 -3.707284 0.190861
H 2.435429 1.364654 0.611699
H 2.893550 2.800344 1.573223
H -1.910022 2.552968 1.644814
H -1.223773 0.945553 1.989004
H 1.393368 2.997156 -1.126849
H 1.695255 4.323113 0.065680
H -3.795317 2.809823 0.095940
H -0.685894 -1.091402 -1.126214
H -1.406389 -2.756295 -1.107186
H -4.165857 -2.168801 -0.213668
H 6.046560 2.853380 -0.096187
H 5.380653 1.558520 0.957343
H 5.140021 3.292705 1.379219
H 3.080361 1.920790 -2.060306
H 4.125747 0.723377 -1.226821
H 4.853551 2.122628 -2.096508
H -5.804317 1.784620 -0.986278
H -5.998147 -0.723426 -1.147562
H -0.098182 -4.657129 0.025874
H 1.648752 -0.736088 -0.602517
H 2.177899 -5.607956 0.472893
H 3.937701 -1.682968 -0.159414
H 4.202799 -4.123371 0.383538


