%chk=000006196.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006196

0 1
 S    1.678800       1.491900      0.3527000    
 O    1.783200      -2.726400     -0.8387000    
 O    5.927000     -0.3228000      0.5727000    
 O    4.951200      0.9267000      -1.065100    
 O   -1.213400      -2.458200      -1.495800    
 O   -4.284000      -1.712000       1.296900    
 N    2.772000     -0.5847000     -0.8205000    
 N  -0.4168000     -0.4137000     -0.7885000    
 N   -4.235000     -0.3278000       1.184100    
 C    1.930200      0.5509000      -1.199600    
 C    2.793500      0.3961000       1.363200    
 C    3.591900     -0.4710000      0.3639000    
 C   0.8348000     -0.4678000      -1.555900    
 C    1.827500      -1.538100      -1.062100    
 C    3.671500       1.269600       2.265100    
 C    1.893100     -0.4839000       2.246500    
 C    4.867700      0.1332000     -0.1393000    
 C   -1.367700      -1.441300     -0.8201000    
 C   -2.554700      -1.255100      2.5100000E-02
 C   -3.176300     -8.1600003E-02  0.4073000    
 C   -3.260500      -2.255700      0.5899000    
 C   -2.819600       1.272800      7.4000001E-02
 C   -3.167300      -3.722000      0.6045000    
 C   -3.353100       1.871100      -1.065300    
 C   -1.941900       1.980000      0.8925000    
 C   -3.007300       3.183400      -1.387700    
 C   -1.596000       3.292400      0.5701000    
 C   -2.128700       3.894100     -0.5699000    
 H    2.329300       1.126700      -2.039300    
 H    3.787000      -1.477600      0.7519000    
 H   0.6396000     -0.5386000      -2.632600    
 H    3.068500       1.838800       2.982700    
 H    4.365900      0.6511000       2.845300    
 H    4.266300       1.992000       1.695000    
 H    2.501600      -1.155200       2.864000    
 H    1.282900      0.1193000       2.929600    
 H    1.213300      -1.112400       1.662200    
 H  -0.5373000      0.3477000     -0.1341000    
 H    6.772700      6.2100001E-02  0.2584000    
 H   -3.826300      -4.157500       1.362600    
 H   -3.453300      -4.133400     -0.3683000    
 H   -2.145100      -4.043600      0.8272000    
 H   -4.038600       1.330300      -1.713300    
 H   -1.522800       1.527500       1.788200    
 H   -3.421800       3.651900      -2.275500    
 H  -0.9142000       3.847000       1.208200    
 H   -1.859600       4.916000     -0.8207000    


%chk=000006196-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006196

0 1
S 1.768473 1.109527 -1.024111
O 1.732520 -2.117942 1.984358
O 6.206710 0.126910 0.320072
O 5.093595 -0.497021 -1.625159
O -1.388683 -3.007594 -1.458403
O -5.204605 -1.673424 -0.222319
N 2.838990 -1.117394 0.053967
N -0.497990 -1.219102 -0.271511
N -4.829112 -0.395144 0.401911
C 1.965757 -0.786535 -1.098487
C 3.101596 1.301205 0.398034
C 3.821288 -0.121423 0.472567
C 0.847106 -1.699812 -0.455373
C 1.798933 -1.746334 0.801715
C 4.039431 2.461958 0.016332
C 2.376848 1.574608 1.733586
C 5.062736 -0.201580 -0.414010
C -1.576525 -1.946937 -0.774931
C -2.950700 -1.484056 -0.453574
C -3.481833 -0.320385 0.243880
C -4.065165 -2.287611 -0.725238
C -2.824380 0.899918 0.776294
C -4.263386 -3.607336 -1.388863
C -1.922288 1.658970 -0.015513
C -3.169483 1.365940 2.073975
C -1.365312 2.854917 0.489033
C -2.612381 2.561602 2.572889
C -1.707208 3.309701 1.782840
H 2.350823 -1.059513 -2.088737
H 4.116720 -0.311991 1.518094
H 0.775837 -2.676782 -0.966868
H 3.480245 3.413764 0.004939
H 4.853239 2.554042 0.759555
H 4.483603 2.318353 -0.983008
H 3.116404 1.802537 2.525940
H 1.695683 2.437153 1.636303
H 1.777471 0.708343 2.061824
H -0.654745 -0.351111 0.248462
H 7.007753 0.093457 -0.271363
H -5.305602 -3.942572 -1.261891
H -4.025408 -3.540055 -2.464867
H -3.566677 -4.353413 -0.971917
H -1.679614 1.338764 -1.034695
H -3.876239 0.786624 2.676380
H -0.671628 3.427394 -0.135592
H -2.885086 2.910476 3.574681
H -1.279512 4.241106 2.170302


