%chk=000013965.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013965

1 1
 S   5.3599998E-02   2.671000     -0.7125000    
 O   0.7818000     -0.2901000      0.3364000    
 O   -1.538900      0.5043000      -2.182800    
 O   0.4604000      -1.180300      -1.759700    
 N    4.400600     -0.5231000     -4.8099998E-02
 C    2.990300     -0.3946000     -0.6600000    
 C    4.184500     -0.9179000       1.426100    
 C    2.047400     -0.9179000      0.4093000    
 C    2.743000     -0.5515000       1.703400    
 C    5.206100      -1.591700     -0.7689000    
 C    5.136900      0.8059000     -0.1387000    
 C   7.1099997E-02 -0.4995000     -0.8166000    
 C   -1.263200      0.2474000     -0.7954000    
 C   -2.381000     -0.6273000     -0.2213000    
 C   -1.149700       1.635100     -0.1474000    
 C   -3.630000     -0.5578000     -0.7934000    
 C   -2.092500      -1.448600      0.8437000    
 C   -1.918700       2.123000      0.8400000    
 C   -1.508000       3.445700       1.174600    
 C   -4.648400      -1.354900     -0.2706000    
 C   -3.111000      -2.245700       1.366400    
 C  -0.4451000       3.867300      0.4065000    
 C   -4.389000      -2.198700      0.8092000    
 H    2.957800     -0.9724000      -1.589000    
 H    2.808200      0.6603000     -0.8946000    
 H    4.903900     -0.3905000       2.059500    
 H    4.336900      -1.999600       1.513300    
 H    1.932000      -2.007700      0.3414000    
 H    2.331900      -1.091600       2.561800    
 H    2.638400      0.5195000       1.917000    
 H    6.169300      -1.696400     -0.2612000    
 H    4.647800      -2.532000     -0.7318000    
 H    5.349800      -1.274500      -1.805900    
 H    6.130300      0.6808000      0.3019000    
 H    5.217500       1.082300      -1.194100    
 H    4.566100       1.558200      0.4136000    
 H   -1.692800     -0.3465000      -2.629200    
 H   -3.863500      0.1025000      -1.622100    
 H   -1.118500      -1.497900       1.314900    
 H   -2.736600       1.612100       1.330000    
 H   -1.968600       4.056900       1.939900    
 H   -5.644700      -1.315300     -0.7013000    
 H   -2.910700      -2.899500       2.210300    
 H   6.2600002E-02   4.820500      0.4491000    
 H   -5.182500      -2.817700       1.217500    


%chk=000013965-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013965

1 1
S 0.257481 2.460666 -1.600976
O 0.875578 -0.940562 0.083467
O -1.511320 0.243322 -2.414014
O 0.301006 -1.761863 -2.013020
N 3.979446 -0.239828 0.109509
C 3.170207 -1.137881 -0.849819
C 4.044945 -1.093662 1.397626
C 2.095844 -1.797680 0.035458
C 2.682142 -1.823769 1.472842
C 5.364251 0.063073 -0.442443
C 3.238251 1.075896 0.378952
C 0.055460 -0.995981 -1.058351
C -1.130675 0.016349 -1.016581
C -2.305903 -0.559355 -0.190694
C -0.672179 1.363723 -0.496126
C -3.620947 -0.239366 -0.610584
C -2.114150 -1.343347 0.973760
C -0.820678 1.924088 0.760826
C -0.193679 3.218975 0.895080
C -4.731730 -0.709652 0.122546
C -3.229714 -1.813657 1.703270
C 0.440217 3.646000 -0.260952
C -4.540570 -1.499164 1.280146
H 3.864013 -1.895530 -1.252328
H 2.762407 -0.538470 -1.677134
H 4.252620 -0.434063 2.253736
H 4.884004 -1.798240 1.272446
H 1.817740 -2.786312 -0.362829
H 2.818189 -2.854743 1.834494
H 1.980689 -1.319886 2.156167
H 5.923241 0.659995 0.294450
H 5.895896 -0.880703 -0.638498
H 5.262090 0.634628 -1.377658
H 3.828352 1.664203 1.098194
H 3.133151 1.626422 -0.568047
H 2.236605 0.862490 0.777558
H -1.572075 -0.633641 -2.880331
H -3.760080 0.372516 -1.506810
H -1.104242 -1.588493 1.319168
H -1.381938 1.435520 1.560516
H -0.242477 3.821129 1.805508
H -5.744817 -0.459451 -0.209334
H -3.075800 -2.425259 2.598891
H 0.927914 4.599010 -0.462026
H -5.403965 -1.865846 1.845144


