%chk=000004676.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004676

0 1
 S   -1.379100      1.0000000E-03   1.651200    
 O    2.942800      -1.320000      -1.643200    
 O    4.976900       2.487600      4.1499998E-02
 O    1.463100      -3.322200      0.5947000    
 O  -0.6437000      -2.641000      2.2600001E-02
 N    2.293200     -0.7542000      0.5543000    
 N   -4.007800      0.6310000     -0.3643000    
 N   -6.237600      0.7737000      0.3359000    
 C    2.556500      0.6231000       1.025800    
 C    3.261400      0.8549000     -0.3382000    
 C    1.171100       1.174000       1.382100    
 C    2.877300     -0.6044000     -0.6689000    
 C   0.2904000     -4.4100001E-02   1.261700    
 C   0.9841000      -1.078900      0.7711000    
 C    4.746400       1.126400     -0.3226000    
 C   -1.936500       1.335900      0.5343000    
 C   -1.745700      0.9491000     -0.9302000    
 C   -3.450700       1.542200      0.6302000    
 C   -2.981800      0.1129000      -1.259100    
 C    5.370000      0.8651000      -1.688900    
 C   0.4870000      -2.404500      0.4179000    
 C   -5.314900      0.3189000     -0.4538000    
 C   -5.722300     -0.6264000      -1.554000    
 H    3.234700      0.6142000       1.889700    
 H    2.722500       1.561600     -0.9849000    
 H   0.8788000       1.967100      0.6876000    
 H    1.163000       1.567500       2.404000    
 H    5.258300      0.4986000      0.4163000    
 H   -1.410200       2.258600      0.7952000    
 H  -0.8144000      0.4332000      -1.177200    
 H   -1.768800       1.863400      -1.538500    
 H   -3.845700       1.358600       1.635700    
 H   -3.706700       2.570100      0.3462000    
 H   -3.243400      0.2321000      -2.315400    
 H   -2.799400     -0.9473000      -1.053200    
 H    6.422000       1.170900      -1.691400    
 H    5.319700     -0.1907000      -1.968500    
 H    4.868400       1.452600      -2.466000    
 H    4.612800       2.616500      0.9339000    
 H    1.163000      -4.227600      0.3656000    
 H   -6.780500     -0.8933000      -1.478900    
 H   -5.560800     -0.1524000      -2.526600    
 H   -5.139500      -1.550100      -1.496100    
 H   -7.160000      0.4062000      8.3499998E-02


%chk=000004676-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004676

0 1
S -1.429656 0.213052 1.432496
O 3.409770 -1.274320 -1.818105
O 5.359878 2.378714 0.600419
O 1.365026 -3.325532 0.105353
O -0.807373 -2.574033 -0.257644
N 2.345306 -0.740290 0.326438
N -4.270679 0.602165 -0.379842
N -6.299619 0.945595 0.701631
C 2.649205 0.641110 0.873021
C 3.652390 0.847030 -0.321224
C 1.255213 1.318617 0.954920
C 3.194235 -0.563138 -0.823897
C 0.286097 0.119895 0.871788
C 0.944303 -1.015913 0.442585
C 5.143977 1.034531 0.019935
C -2.136427 1.490475 0.165276
C -2.096793 0.904919 -1.262839
C -3.641693 1.636885 0.468868
C -3.303510 -0.061917 -1.285365
C 6.032545 0.959422 -1.223426
C 0.377928 -2.335939 0.076248
C -5.601466 0.261768 -0.193380
C -6.123325 -0.872900 -1.073603
H 3.134708 0.580094 1.863988
H 3.338727 1.640534 -1.023428
H 1.066250 2.019315 0.115581
H 1.114095 1.882221 1.891879
H 5.445114 0.252379 0.751870
H -1.573559 2.428249 0.293303
H -1.149286 0.394284 -1.501546
H -2.248498 1.729007 -1.987045
H -3.913966 1.484219 1.529239
H -4.006264 2.648340 0.197180
H -3.714996 -0.181937 -2.303738
H -2.997110 -1.057224 -0.905983
H 7.092991 1.058994 -0.938048
H 5.885620 0.000332 -1.749363
H 5.783177 1.782569 -1.916078
H 4.940513 2.423235 1.497698
H 0.973153 -4.184030 -0.211881
H -7.146111 -1.146331 -0.767856
H -6.152058 -0.570142 -2.137474
H -5.486058 -1.772884 -0.997735
H -7.277877 0.608481 0.760886


