%chk=000295818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295818

0 1
S -2.192501 2.060953 0.067026
O -2.555819 3.306995 0.693980
O -2.470989 1.801240 -1.329729
O 0.711544 -1.559676 0.487139
O 2.841074 2.220431 -1.121616
O -5.324092 -1.432338 -0.477462
O -5.538065 -0.287311 1.466482
N 1.472523 0.446616 -0.443832
N -2.953469 0.826762 0.975455
C 0.159434 1.017116 -0.821159
C -0.480057 1.757418 0.354868
C 1.626941 -0.829582 0.205547
C 2.732531 1.131909 -0.626122
C 3.105802 -0.979226 0.414468
C 3.761585 0.185186 -0.078101
C -3.336154 -0.445701 0.338038
C 3.818161 -2.017912 0.972502
C 5.131473 0.314443 -0.013752
C -2.578992 -1.621239 0.955147
C -4.842566 -0.674982 0.559376
C 5.226744 -1.887349 1.041051
C 5.866392 -0.751324 0.560792
C -6.735884 -1.777368 -0.444429
H 0.067479 2.706642 0.550392
H -0.328606 1.181661 1.296094
H -0.492962 0.180726 -1.176266
H 0.309013 1.710907 -1.686067
H -3.484553 1.047454 1.830531
H -3.141911 -0.405008 -0.775280
H -2.734729 -1.696242 2.038413
H -2.880478 -2.574088 0.502069
H -1.490731 -1.518976 0.800505
H 3.320721 -2.912645 1.349773
H 5.638697 1.204019 -0.390824
H 5.810426 -2.698813 1.479970
H 6.953323 -0.668933 0.621976
H -6.915350 -2.148832 -1.458942
H -7.337358 -0.889292 -0.221707
H -6.890896 -2.552540 0.311294


%chk=000295818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295818

0 1
S -2.223170 1.941773 0.054380
O -2.740527 3.271833 0.830908
O -2.566342 1.663282 -1.521697
O 1.059748 -1.926285 0.491728
O 2.693867 2.266155 -0.897847
O -5.638355 -1.326261 -0.420445
O -5.474708 0.123159 1.396139
N 1.558247 0.274255 -0.269961
N -2.714877 0.394323 1.043896
C 0.194457 0.669055 -0.638400
C -0.312968 1.809829 0.257425
C 1.888880 -1.011502 0.264969
C 2.712781 1.096677 -0.441547
C 3.372860 -0.990781 0.459104
C 3.866289 0.268192 0.033300
C -3.424377 -0.626654 0.229663
C 4.229865 -1.981717 0.960366
C 5.233111 0.576906 0.094703
C -2.881653 -2.037921 0.577408
C -4.938617 -0.544087 0.479358
C 5.614924 -1.678229 1.027432
C 6.108651 -0.419201 0.601033
C -7.117185 -1.335337 -0.263143
H 0.066341 2.802639 -0.028439
H -0.189680 1.611414 1.332326
H -0.429194 -0.232803 -0.508308
H 0.162046 0.975889 -1.696981
H -3.339191 0.767434 1.794662
H -3.248166 -0.412757 -0.844582
H -3.079940 -2.282859 1.635321
H -3.364305 -2.796082 -0.062790
H -1.790067 -2.067760 0.421237
H 3.837969 -2.950252 1.285925
H 5.603410 1.551693 -0.237433
H 6.315074 -2.426393 1.413772
H 7.182577 -0.214510 0.664151
H -7.476221 -2.013048 -1.049289
H -7.514384 -0.316317 -0.400868
H -7.389469 -1.702656 0.740124


