%chk=000288668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288668

0 1
S -3.031132 1.455250 1.426468
O 3.137874 -2.220124 -1.252481
O 1.998799 1.509521 -3.113092
O -3.291065 1.472442 2.849465
O -3.343960 2.593135 0.593120
O 4.975126 1.328377 -0.942682
O 2.746473 -1.545150 0.873709
N -1.331446 1.166776 1.350415
C 2.939081 0.089737 -0.952572
C 1.588848 0.747933 -0.913372
C -0.508228 1.309936 0.202110
C 0.748459 0.665496 0.197767
C 1.142768 1.485248 -2.033414
C 4.017952 0.987381 -0.295593
C -0.915517 2.066000 -0.914637
C -0.092850 2.144332 -2.035951
C 2.918861 -1.271887 -0.293625
C -3.710598 0.033007 0.725804
C 3.794780 1.365484 1.129589
C -4.101831 -1.026283 1.552282
C -3.879364 -0.058657 -0.659753
C 3.203818 -3.625592 -0.838535
C -4.653266 -2.182050 0.992527
C -4.429926 -1.214339 -1.221211
C -4.814767 -2.275688 -0.394401
C 4.547209 -3.907901 -0.201989
H 3.243681 -0.040351 -2.041651
H 1.069272 0.083293 1.067625
H -0.834780 0.915660 2.215566
H -1.859983 2.625470 -0.904811
H -0.407810 2.724330 -2.900887
H 2.968294 2.086012 1.228016
H 4.688867 1.832725 1.567789
H 3.528971 0.492554 1.751914
H -3.985548 -0.948681 2.639736
H -3.589331 0.774621 -1.308500
H 1.653986 2.080497 -3.842187
H 3.065541 -4.129506 -1.813052
H 2.356257 -3.831806 -0.161854
H -4.958410 -3.006752 1.635588
H -4.560469 -1.286830 -2.300271
H -5.244312 -3.178158 -0.832282
H 4.697899 -4.981856 -0.040035
H 5.374305 -3.546323 -0.828321
H 4.640374 -3.410484 0.775068


%chk=000288668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288668

0 1
S -3.302865 1.495310 1.169531
O 2.365883 -2.287490 -1.331438
O 2.043834 2.051984 -2.941676
O -4.018035 1.568393 2.626659
O -3.782518 2.379679 -0.108235
O 4.902523 0.531461 -1.180907
O 2.022003 -1.477424 0.827134
N -1.415124 2.079156 1.511526
C 2.501119 0.084756 -1.046946
C 1.345403 1.066359 -0.862597
C -0.569849 2.022993 0.374891
C 0.461813 1.049994 0.235569
C 1.149190 2.064353 -1.861411
C 3.864818 0.644529 -0.487891
C -0.746520 3.008003 -0.638088
C 0.104415 3.015507 -1.754898
C 2.257532 -1.273291 -0.391648
C -3.300227 -0.322787 0.618907
C 3.848252 1.274582 0.890865
C -3.454916 -1.307502 1.609701
C -3.147735 -0.601126 -0.750024
C 2.238372 -3.694539 -0.822621
C -3.450332 -2.659029 1.194064
C -3.142138 -1.960005 -1.143243
C -3.289164 -2.981505 -0.174964
C 3.579045 -4.193408 -0.278409
H 2.676302 -0.083072 -2.120797
H 0.589664 0.278763 1.004783
H -1.123885 1.443065 2.279651
H -1.540223 3.750403 -0.524286
H -0.029001 3.773205 -2.537558
H 3.269735 2.216702 0.873179
H 4.877304 1.485329 1.218907
H 3.343410 0.602716 1.609245
H -3.605463 -1.023994 2.656709
H -3.063236 0.212829 -1.477018
H 1.836060 2.767311 -3.592234
H 1.915645 -4.254705 -1.714140
H 1.451260 -3.714575 -0.048480
H -3.579438 -3.453880 1.936011
H -3.029836 -2.215724 -2.201961
H -3.289772 -4.031040 -0.488775
H 3.493374 -5.261110 -0.003758
H 4.372831 -4.094776 -1.038268
H 3.873392 -3.629599 0.622336


