%chk=000002176.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002176

0 1
S 2.126255 -1.137717 1.928313
O 1.053344 0.913541 -1.967639
O 1.321056 -0.038964 2.817570
O 2.766467 -2.423277 2.685012
O -0.550132 2.208427 -0.752537
O -0.669336 -2.092828 -2.100519
O -1.441445 1.866558 1.244189
O 0.486214 3.243636 1.127809
N 1.027046 -1.806773 0.561215
N -1.764722 -0.608400 -0.616350
N -3.972267 -0.074293 -0.159434
C 3.350334 -0.300962 0.797867
C 2.862544 0.284512 -0.402856
C 0.653227 -0.909633 -0.442993
C 1.493047 0.098897 -0.879272
C 4.681352 -0.231111 1.238310
C 3.824943 1.012545 -1.166938
C 0.346335 -3.076250 0.860178
C -0.656795 -1.235940 -1.159903
C 5.603855 0.485774 0.447429
C 5.162581 1.113242 -0.745552
C 0.638668 2.293391 -1.639339
C 0.215365 2.948951 -2.937062
C -3.130426 -0.786314 -0.967601
C -3.585652 -1.611889 -2.033056
C -0.399951 2.508192 0.614980
C -4.977503 -1.688053 -2.250918
C -5.308905 -0.163684 -0.395324
C -5.863577 -0.956187 -1.425898
C -1.561349 2.085757 2.732536
C -2.856124 1.409253 3.160589
H 4.987358 -0.728210 2.164321
H 3.501052 1.457248 -2.113000
H 0.935288 -3.603145 1.631881
H 0.329829 -3.693222 -0.053849
H -0.687293 -2.929422 1.225982
H 6.651024 0.553994 0.757043
H 5.877616 1.672337 -1.358076
H 1.442162 2.822658 -1.091685
H -1.619295 0.128609 0.093369
H 1.057665 2.954853 -3.648740
H -0.105436 3.986491 -2.748522
H -0.622034 2.387915 -3.383149
H -2.867127 -2.155170 -2.646682
H -5.363033 -2.313507 -3.063033
H -5.948565 0.424419 0.272256
H -6.946917 -0.994373 -1.572834
H -1.566982 3.176081 2.909122
H -0.668451 1.635496 3.194617
H -2.990524 1.539054 4.249603
H -3.727180 1.844358 2.641438
H -2.826406 0.328135 2.942930


%chk=000002176-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000002176

0 1
S 1.945089 -0.954458 1.992864
O 1.063265 0.919257 -2.028462
O 1.143787 0.210766 2.798487
O 2.520260 -2.218235 2.834692
O -0.516404 2.229860 -0.831338
O -0.741973 -1.963731 -2.130120
O -1.282799 1.818211 1.208365
O 0.581796 3.240913 1.001443
N 0.863240 -1.657479 0.630589
N -1.872801 -0.546502 -0.624439
N -4.111493 -0.094099 -0.200593
C 3.232463 -0.214907 0.863929
C 2.804855 0.319325 -0.382309
C 0.558403 -0.811900 -0.435874
C 1.448349 0.145350 -0.896667
C 4.548879 -0.157088 1.348639
C 3.812525 0.983782 -1.145951
C 0.144754 -2.897062 0.964475
C -0.746296 -1.135336 -1.171336
C 5.518487 0.493537 0.556506
C 5.136970 1.071082 -0.681630
C 0.667304 2.304240 -1.717446
C 0.265286 2.961327 -3.020959
C -3.224068 -0.762620 -0.999578
C -3.623244 -1.589340 -2.085092
C -0.303411 2.503356 0.528717
C -5.004986 -1.717067 -2.336808
C -5.438274 -0.232082 -0.470411
C -5.937660 -1.031254 -1.523795
C -1.350666 2.041404 2.698522
C -2.307378 0.989482 3.243616
H 4.807970 -0.612518 2.309727
H 3.532594 1.389803 -2.122838
H 0.699502 -3.402838 1.774824
H 0.138860 -3.555218 0.079235
H -0.894752 -2.710824 1.293687
H 6.555626 0.550280 0.900366
H 5.888210 1.580237 -1.294404
H 1.474280 2.823439 -1.164131
H -1.755101 0.192563 0.092248
H 1.114293 2.953672 -3.724661
H -0.043316 4.003584 -2.838479
H -0.574876 2.409459 -3.472856
H -2.868889 -2.094570 -2.689545
H -5.346853 -2.345718 -3.165840
H -6.116603 0.321766 0.188397
H -7.014974 -1.109020 -1.696919
H -1.715171 3.072988 2.850286
H -0.329251 1.932770 3.097279
H -2.487531 1.181180 4.316945
H -3.272081 1.013140 2.708691
H -1.869000 -0.017908 3.145751


