%chk=000017435.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000017435

0 1
S 1.512814 0.717237 -0.972220
S 2.496947 -1.038212 1.861748
P 2.600714 -0.801140 -0.036247
O -0.355933 3.299954 0.743649
O 4.036351 -0.343323 -0.704558
O 2.297743 -2.150213 -0.948274
O -0.752437 2.635671 -1.390979
C 0.199266 1.087118 0.261991
C -0.797191 -0.028569 0.257137
C -0.365510 2.387476 -0.276310
C -1.553018 -0.309849 -0.893192
C -0.958912 -0.814567 1.408441
C -2.455502 -1.374752 -0.890713
C -1.863978 -1.879820 1.402642
C -2.611349 -2.162305 0.255494
C -0.874179 4.645402 0.473575
C -2.386549 4.617294 0.443195
C 5.156319 -1.230240 -0.443486
C 1.242046 -3.024159 -0.482363
H 0.629019 1.260535 1.289629
H -1.435845 0.309559 -1.788425
H -0.377494 -0.603362 2.308939
H -3.041480 -1.589284 -1.783664
H -1.986901 -2.487746 2.298204
H -3.318146 -2.990599 0.255098
H -0.461498 5.196787 1.338813
H -0.432203 5.005411 -0.472352
H -2.758932 4.070087 -0.436338
H -2.800029 4.121060 1.331218
H -2.806019 5.629700 0.401230
H 4.981825 -2.224655 -0.872443
H 5.389789 -1.275103 0.628133
H 5.969749 -0.722357 -0.984799
H 1.281424 -3.835923 -1.224764
H 0.264718 -2.523661 -0.528353
H 1.451381 -3.419752 0.520143


%chk=000017435-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017435

0 1
S 1.347554 0.430642 -1.391188
S 2.610366 -0.595734 1.987461
P 2.780013 -0.769574 -0.073895
O -0.212301 3.137197 0.643445
O 4.242041 -0.269827 -0.839746
O 2.737226 -2.400636 -0.688905
O -0.987514 2.598290 -1.493095
C 0.025442 0.861352 -0.039250
C -1.092534 -0.161206 0.022229
C -0.451302 2.266193 -0.410634
C -1.983335 -0.353320 -1.067084
C -1.251569 -0.940645 1.197137
C -3.011447 -1.315434 -0.979911
C -2.284327 -1.902270 1.281392
C -3.165868 -2.093390 0.193184
C -0.658974 4.557760 0.451303
C -2.135005 4.712148 0.824815
C 5.516301 -0.862033 -0.356978
C 1.578876 -3.240150 -0.312727
H 0.580477 0.908962 0.913241
H -1.865987 0.254249 -1.970854
H -0.562818 -0.798449 2.037666
H -3.694731 -1.458616 -1.824412
H -2.399771 -2.497361 2.194149
H -3.966825 -2.838462 0.257580
H 0.004655 5.123252 1.123949
H -0.473553 4.840428 -0.599622
H -2.777262 4.141665 0.133382
H -2.318885 4.364348 1.855741
H -2.422895 5.777965 0.762792
H 5.545852 -1.942136 -0.579603
H 5.640362 -0.684126 0.726785
H 6.292997 -0.327903 -0.923186
H 1.791752 -4.224329 -0.755215
H 0.646473 -2.823642 -0.736470
H 1.493518 -3.321507 0.786323


