%chk=000276219.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276219

0 1
S -0.751653 -1.200563 -1.270962
O 5.390314 -1.639070 0.528177
O -2.404750 -3.606637 -1.172292
O -2.176821 -2.900215 0.945986
N -4.074323 -0.833434 0.400158
C 0.080873 0.135686 -0.318822
C -0.031458 1.447428 -1.076792
C -0.724826 0.399741 0.939292
C -0.821672 2.376849 -0.331460
C -1.251049 1.727868 0.916383
C 1.488562 -0.349904 -0.134343
C 0.505582 1.806817 -2.300457
C -0.992339 -0.444635 2.003644
C -1.066787 3.650972 -0.819679
C -2.029262 2.199991 1.962357
C -2.445769 -0.619064 -1.562556
C 2.126005 -0.229015 1.118585
C 2.198072 -0.904328 -1.209655
C 0.251714 3.101709 -2.792953
C -1.781296 0.040927 3.064195
C -0.519911 4.007045 -2.066396
C -2.288442 1.339497 3.045041
C -3.385641 -1.501977 -0.728838
C 3.429292 -0.669104 1.301638
C 3.511139 -1.359201 -1.050089
C 4.112921 -1.240805 0.207334
C -2.583703 -2.681603 -0.167816
C 6.190535 -2.252036 -0.511565
H 1.113998 1.111327 -2.876143
H -0.627391 -1.476483 2.015358
H -1.661912 4.364102 -0.254711
H -2.426705 3.211669 1.954765
H -2.557158 0.457186 -1.334829
H -2.651624 -0.728631 -2.646359
H 1.594982 0.223092 1.959772
H 1.739830 -0.989157 -2.198407
H 0.670190 3.395033 -3.754949
H -1.997915 -0.617393 3.906102
H -0.702103 5.005313 -2.462428
H -2.893919 1.697376 3.877252
H -4.195100 -1.918219 -1.398836
H 3.932289 -0.583861 2.262419
H 4.036724 -1.792392 -1.893826
H -4.406506 0.087580 0.128985
H -3.450873 -0.712041 1.201189
H -1.861533 -4.386401 -0.880994
H 5.719110 -3.175533 -0.859637
H 6.358646 -1.544588 -1.328357
H 7.125763 -2.465418 0.022820


%chk=000276219-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276219

0 1
S -0.742329 -1.482675 -0.965429
O 5.759728 -1.205552 0.555210
O -4.023043 -3.136890 -2.377809
O -3.512858 -3.838190 -0.221770
N -3.695853 -1.225935 0.714193
C 0.160310 0.064583 -0.142790
C -0.020659 1.313234 -1.015659
C -0.586976 0.448886 1.131300
C -0.820682 2.279413 -0.334653
C -1.184095 1.736128 0.991013
C 1.626143 -0.352350 0.035913
C 0.487459 1.580927 -2.297402
C -0.751306 -0.291436 2.315084
C -1.117455 3.519988 -0.939359
C -1.961956 2.284085 2.035078
C -2.420674 -0.777348 -1.483625
C 2.360205 0.076985 1.176489
C 2.318724 -1.082502 -0.961033
C 0.188084 2.825188 -2.905861
C -1.522253 0.261013 3.367414
C -0.608253 3.785563 -2.232272
C -2.127526 1.536736 3.225453
C -3.642760 -1.412723 -0.729770
C 3.726841 -0.218516 1.317195
C 3.690097 -1.393786 -0.831795
C 4.399887 -0.958297 0.313709
C -3.716073 -2.908563 -1.028822
C 6.497400 -1.967694 -0.455051
H 1.105874 0.843009 -2.818234
H -0.299913 -1.284383 2.413362
H -1.725395 4.269498 -0.420288
H -2.425883 3.271666 1.934470
H -2.402163 0.307920 -1.286325
H -2.517594 -0.935573 -2.570993
H 1.857989 0.653251 1.959708
H 1.773823 -1.435351 -1.843167
H 0.577061 3.049522 -3.905262
H -1.660186 -0.303502 4.296017
H -0.827489 4.743322 -2.717311
H -2.727211 1.945214 4.046315
H -4.534930 -0.954701 -1.206962
H 4.292343 0.111450 2.193936
H 4.183931 -1.971507 -1.618813
H -3.494829 -0.275360 1.034846
H -3.192317 -1.945397 1.241473
H -4.029961 -4.117029 -2.550507
H 6.069813 -2.980741 -0.587005
H 6.508632 -1.440119 -1.428840
H 7.522379 -2.045961 -0.064070


