%chk=000210354.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210354

0 1
S 5.823071 0.012826 -1.327743
S 6.543121 0.070202 0.597814
O -6.726320 0.951467 0.803685
O 5.653501 -1.218908 1.203013
O 7.900664 -0.360024 0.620020
O 6.068659 1.237865 1.256003
N 1.821614 0.073951 -0.603379
C -0.584634 -0.363419 -0.248343
C -1.690369 -1.428993 -0.215579
C 0.795788 -1.005547 -0.454720
C -3.034743 -0.794080 0.012566
C 3.209574 -0.483067 -0.660175
C 4.124590 0.643197 -1.136490
C -3.541330 -0.660525 1.320084
C -3.787703 -0.321915 -1.068958
C -4.779375 -0.071924 1.545123
C -5.037696 0.275125 -0.870583
C -5.519424 0.392533 0.437314
C -7.576556 1.469236 -0.246585
H -0.604579 0.226285 0.688570
H -0.785290 0.364839 -1.061353
H -1.477100 -2.176464 0.575178
H -1.692994 -2.003019 -1.164778
H 1.020107 -1.708923 0.376275
H 0.799160 -1.604986 -1.392886
H 1.748976 0.732000 0.182035
H 3.229369 -1.329443 -1.384836
H 3.558181 -0.898566 0.315533
H 3.805532 1.018322 -2.134659
H 4.100805 1.521617 -0.458175
H -2.956653 -1.021746 2.165863
H -3.399931 -0.416117 -2.083191
H -5.188366 0.039040 2.546439
H -5.606189 0.633610 -1.721174
H -7.075551 2.285837 -0.774050
H -8.437634 1.840385 0.324504
H -7.874477 0.665665 -0.925925
H 6.128500 -1.872537 1.742864


%chk=000210354-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210354

0 1
S 5.815722 -0.020637 -1.549235
S 6.770309 0.290170 0.724649
O -6.816913 1.188210 0.837834
O 6.880437 -1.518212 1.166672
O 8.267169 0.897938 0.811176
O 5.602435 0.958020 1.637434
N 1.827859 -0.207474 -0.480367
C -0.637190 -0.480408 -0.278653
C -1.825438 -1.480409 -0.307752
C 0.717714 -1.175676 -0.514202
C -3.162463 -0.804199 -0.042120
C 3.178078 -0.699387 -0.780259
C 4.094927 0.507753 -1.048336
C -3.589041 -0.533584 1.287304
C -4.002666 -0.389019 -1.101812
C -4.802370 0.127280 1.548372
C -5.227316 0.278178 -0.863426
C -5.626813 0.538156 0.470298
C -7.704112 1.630689 -0.239580
H -0.625424 0.036493 0.703107
H -0.785472 0.301405 -1.046974
H -1.643730 -2.271145 0.447744
H -1.844414 -1.981930 -1.295341
H 0.849681 -1.991581 0.239550
H 0.721411 -1.664138 -1.509433
H 1.789545 0.436393 0.320296
H 3.120459 -1.336879 -1.683279
H 3.625340 -1.322557 0.029103
H 3.701561 1.156907 -1.852702
H 4.200460 1.124871 -0.131155
H -2.963587 -0.853303 2.130388
H -3.701096 -0.590633 -2.137424
H -5.136031 0.331719 2.570366
H -5.850631 0.580086 -1.710578
H -7.202913 2.367056 -0.898055
H -8.556457 2.106660 0.267052
H -8.061262 0.775036 -0.845654
H 7.556526 -1.598051 1.904291


