%chk=000004252.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004252

0 1
S -3.192880 0.400966 1.163078
S 2.314947 -3.125246 -1.384592
F 2.591767 -1.531740 -3.587233
F 3.289591 -3.676701 -3.880372
O 1.033713 0.944006 -1.306968
O 4.397658 1.900146 -0.076641
O 2.879355 0.652705 2.558762
O 0.751894 2.697261 3.367736
O -1.488546 2.133766 3.091881
O 5.309724 -1.006305 0.362738
O -7.140661 -1.575359 0.286649
N 1.448777 1.799964 0.914047
N 3.325351 -0.242733 -0.637840
N -4.265526 -1.718348 -0.337097
N -3.118317 -0.275717 -1.589301
N -4.301208 -2.209200 -1.665741
N -3.607491 -1.327940 -2.399884
C 1.896212 1.787549 -0.495551
C 3.235398 1.075629 -0.029266
C 2.596234 1.101432 1.433203
C 0.077152 1.910179 1.228009
C -0.835103 1.743888 0.200680
C -0.376431 1.376414 -1.207421
C -2.315213 1.931317 0.356797
C -0.324609 2.236137 2.622619
C 4.283766 -1.199971 -0.347840
C 5.138511 1.888466 -1.353980
C 4.102943 -2.572886 -1.019654
C -3.543057 -0.548297 -0.323467
C -4.948787 -2.442067 0.744712
C 2.291330 -2.890391 -3.221599
C -6.131655 -1.668734 1.341518
H 2.016534 2.794394 -0.933889
H 2.515482 -0.505307 -1.217984
H -0.548119 2.239543 -1.888020
H -0.983494 0.537641 -1.591739
H -2.583665 2.730531 1.060978
H -2.817570 2.065853 -0.613706
H 5.680507 0.934981 -1.474694
H 4.469586 2.059871 -2.220627
H 5.858156 2.715533 -1.263801
H 4.531060 -3.333671 -0.351068
H 4.656613 -2.601997 -1.974724
H 0.475565 2.844516 4.312001
H -4.218630 -2.679909 1.540107
H -5.313485 -3.381835 0.300579
H 1.299058 -3.155357 -3.618078
H -6.502904 -2.246143 2.214761
H -5.806459 -0.667558 1.693619
H -7.877276 -0.978679 0.569005


%chk=000004252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004252

0 1
S -3.273745 0.360043 1.275483
S 2.755412 -3.033202 -2.206686
F 4.034149 -1.088308 -3.663383
F 4.886764 -3.184968 -3.908357
O 0.900889 0.718336 -1.277181
O 4.299199 1.776917 -0.241124
O 2.894791 0.683713 2.517923
O 0.775742 2.750210 3.292072
O -1.461010 2.127677 3.136946
O 5.260835 -1.064922 0.398728
O -7.424061 -1.321791 0.568424
N 1.392932 1.703306 0.872426
N 3.247395 -0.407321 -0.619874
N -4.590910 -1.643289 -0.191201
N -3.402881 -0.270465 -1.483927
N -4.740985 -2.101692 -1.523840
N -4.021700 -1.262383 -2.282231
C 1.787833 1.610546 -0.549119
C 3.150198 0.943697 -0.091508
C 2.568076 1.052719 1.389031
C 0.034511 1.837505 1.225684
C -0.911808 1.628641 0.237465
C -0.504036 1.167805 -1.159408
C -2.380713 1.860094 0.428631
C -0.319434 2.230283 2.616471
C 4.255015 -1.307960 -0.322659
C 4.916490 1.759352 -1.584190
C 4.116708 -2.722875 -0.913620
C -3.776944 -0.535377 -0.200666
C -5.271791 -2.328114 0.917047
C 3.659335 -2.474377 -3.728302
C -6.371507 -1.481737 1.571588
H 1.880116 2.592261 -1.047917
H 2.466319 -0.710304 -1.219360
H -0.695249 1.984077 -1.890215
H -1.125941 0.310254 -1.470119
H -2.608684 2.676974 1.126081
H -2.904494 1.991255 -0.530996
H 5.393917 0.785674 -1.785922
H 4.175791 1.982371 -2.378185
H 5.679835 2.550058 -1.546387
H 3.888307 -3.425512 -0.094302
H 5.081560 -3.018462 -1.355212
H 0.536171 2.937662 4.239271
H -4.523945 -2.620923 1.676744
H -5.719369 -3.237768 0.486085
H 3.018456 -2.626001 -4.610819
H -6.735595 -2.036100 2.462661
H -5.965204 -0.504521 1.906260
H -8.100942 -0.672459 0.882391


