%chk=000211359.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211359

0 1
S -4.449218 -0.993401 2.097161
P -4.917051 -0.500402 0.323957
O -3.906795 -1.035323 -0.882369
O -5.017484 1.089621 -0.044021
O -6.335213 -1.046324 -0.273666
O 3.632789 0.385090 -0.064721
O 4.278330 -1.623502 0.949412
N 5.535587 0.349850 1.138019
N 2.292135 -0.021477 0.043883
C 7.756612 -0.481007 0.272896
C 8.359925 0.839899 -0.220875
C 6.828018 -0.298032 1.480950
C 9.320242 0.616822 -1.386560
C 0.112017 0.033268 -0.884330
C -2.571905 -0.629835 -0.799861
C -0.276071 -1.270044 -0.527122
C -0.858909 1.005239 -1.181685
C -1.627829 -1.614066 -0.484526
C -2.214346 0.681206 -1.143324
C 1.555105 0.387175 -0.951696
C 4.475376 -0.460509 0.721567
C -5.581579 1.973523 0.984506
C -6.599937 -2.483898 -0.124481
C 2.023725 1.172079 -2.136343
C -5.395953 3.349401 0.375090
C -8.005197 -2.621236 -0.676303
H 7.213846 -0.983819 -0.552505
H 8.570108 -1.181919 0.550586
H 7.555047 1.533526 -0.532502
H 8.892490 1.345220 0.609276
H 7.310348 0.329611 2.264826
H 6.615353 -1.289483 1.950976
H 8.819244 0.146029 -2.240557
H 10.158622 -0.030371 -1.103432
H 9.744215 1.564572 -1.738012
H 5.596881 1.294124 0.755777
H 0.484462 -2.014413 -0.271989
H -0.556163 2.019811 -1.440683
H -1.949020 -2.617682 -0.208820
H -2.981500 1.423092 -1.374172
H -5.021573 1.857781 1.933623
H -6.649345 1.716803 1.119739
H -6.540479 -2.768724 0.944308
H -5.857534 -3.041500 -0.727241
H 1.902068 2.252161 -1.969721
H 3.094139 0.997747 -2.334134
H 1.472698 0.908387 -3.049622
H -4.332050 3.600201 0.267610
H -5.834004 3.395894 -0.632955
H -5.869116 4.125551 0.987753
H -8.729965 -2.060643 -0.070253
H -8.069006 -2.212577 -1.695809
H -8.323141 -3.669494 -0.708328


%chk=000211359-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211359

0 1
S -4.935593 -0.354360 2.273007
P -5.093154 -0.324335 0.218829
O -3.714588 -0.827623 -0.728225
O -5.447034 1.180555 -0.545790
O -6.290954 -1.320887 -0.509048
O 3.893688 0.606783 0.414789
O 4.613904 -1.665749 0.745605
N 6.065508 0.178400 0.880446
N 2.542654 0.062927 0.237518
C 8.066776 -0.992706 -0.130683
C 8.615286 0.210406 -0.929631
C 7.291017 -0.595330 1.146925
C 9.411242 -0.221357 -2.180354
C 0.263212 0.558645 -0.175048
C -2.403609 -0.327344 -0.499503
C -0.054050 -0.831086 -0.120719
C -0.789687 1.486097 -0.402591
C -1.377927 -1.273498 -0.276444
C -2.121133 1.052846 -0.568186
C 1.667316 1.029300 0.008929
C 4.854419 -0.446062 0.689288
C -6.584790 1.989993 -0.003423
C -6.401833 -2.748056 -0.071110
C 1.984617 2.508502 -0.068065
C -6.551799 3.319301 -0.749910
C -7.718275 -3.266399 -0.640462
H 7.405138 -1.604371 -0.774464
H 8.909739 -1.647651 0.171563
H 7.773185 0.861383 -1.240451
H 9.265045 0.823409 -0.270344
H 7.938442 0.008297 1.811320
H 6.991365 -1.504845 1.696463
H 8.776468 -0.812164 -2.866804
H 10.278449 -0.849352 -1.902139
H 9.792200 0.652753 -2.739570
H 6.103781 1.192909 0.783823
H 0.753624 -1.547321 0.055016
H -0.578847 2.558628 -0.455277
H -1.630863 -2.336665 -0.228222
H -2.932275 1.763725 -0.754974
H -6.443111 2.118353 1.086920
H -7.522940 1.435479 -0.189715
H -6.380911 -2.788418 1.035357
H -5.532339 -3.298178 -0.475411
H 1.414228 3.066667 0.696748
H 3.056318 2.688806 0.091493
H 1.699928 2.913111 -1.056647
H -5.603269 3.851086 -0.563411
H -6.658837 3.159711 -1.835958
H -7.385162 3.959480 -0.405971
H -8.571949 -2.697220 -0.235450
H -7.727729 -3.181499 -1.740091
H -7.845891 -4.331074 -0.370653


