%chk=000256411.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256411

0 1
S -0.945071 0.556138 -1.178708
O -2.720278 -0.817954 -3.018361
O -2.644119 -2.188443 -1.239100
N -4.700362 -0.374796 -0.210495
C 0.472358 0.348963 0.004136
C -0.021787 -0.376983 1.232180
C 1.409717 -0.457046 -0.879426
C 1.065473 1.708585 0.319336
C -2.461538 0.841346 -0.215421
C 0.191347 0.141813 2.518205
C 1.964583 -1.673111 -0.455545
C 0.270054 2.853493 0.465200
C -0.714311 -1.594884 1.097331
C 1.742719 0.043084 -2.152069
C 2.455807 1.817674 0.505810
C -3.555404 0.114871 -1.011229
C -0.284924 -0.536586 3.644989
C 2.809887 -2.395789 -1.302904
C 0.856004 4.086986 0.770415
C -1.188825 -2.268332 2.223304
C 2.582810 -0.686295 -2.996404
C 3.036799 3.049420 0.811727
C -0.976948 -1.741099 3.501997
C 3.115023 -1.909701 -2.576860
C 2.238210 4.190243 0.942434
C -2.922187 -1.104632 -1.692880
H -2.668207 1.922841 -0.132728
H -2.364278 0.450152 0.815898
H 0.735807 1.077405 2.656435
H 1.747519 -2.066030 0.538666
H -0.810300 2.808790 0.342553
H -0.892639 -2.026902 0.103818
H 1.362709 1.010659 -2.487948
H 3.090673 0.935281 0.409187
H -3.967806 0.797810 -1.810908
H -0.110196 -0.122306 4.636676
H 3.229859 -3.342304 -0.965713
H 0.228031 4.970759 0.872124
H -1.724910 -3.209489 2.100621
H 2.825844 -0.297139 -3.984053
H 4.114984 3.120621 0.947504
H -1.346131 -2.269105 4.379069
H 3.766943 -2.477539 -3.237698
H 2.691352 5.151421 1.176563
H -5.123132 0.379198 0.321733
H -4.415667 -1.103501 0.443018
H -2.273391 -1.559487 -3.509580


%chk=000256411-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256411

0 1
S -0.968391 0.461753 -1.362806
O -3.691620 -1.407819 -2.764997
O -3.599884 -2.173992 -0.574442
N -4.990789 0.395764 -0.181215
C 0.560525 0.303852 -0.105264
C 0.075506 -0.483740 1.122550
C 1.608808 -0.449760 -0.957600
C 1.116799 1.698556 0.263125
C -2.488712 0.709124 -0.248456
C 0.171622 0.036917 2.438190
C 2.255312 -1.628379 -0.510401
C 0.367078 2.893245 0.149454
C -0.518843 -1.765120 0.949022
C 1.996888 0.100667 -2.209894
C 2.436510 1.781778 0.786266
C -3.775390 0.256185 -0.997786
C -0.300319 -0.704530 3.547528
C 3.248278 -2.252179 -1.301672
C 0.913160 4.136078 0.546395
C -0.995724 -2.501262 2.051362
C 2.978719 -0.525527 -3.003769
C 2.984382 3.019628 1.184384
C -0.883667 -1.976510 3.361519
C 3.610691 -1.709289 -2.553315
C 2.223279 4.206306 1.068673
C -3.667204 -1.222874 -1.384812
H -2.585429 1.771623 0.034398
H -2.352300 0.092539 0.655617
H 0.616598 1.022339 2.603607
H 1.989848 -2.061301 0.458396
H -0.635833 2.856366 -0.285328
H -0.641510 -2.165050 -0.063057
H 1.525501 1.026992 -2.557962
H 3.039873 0.871257 0.871045
H -3.901938 0.842609 -1.922861
H -0.213825 -0.281052 4.554716
H 3.737835 -3.161632 -0.935009
H 0.315320 5.048475 0.439424
H -1.469790 -3.474008 1.883369
H 3.255648 -0.088682 -3.969846
H 4.006093 3.057975 1.578914
H -1.256290 -2.546267 4.220192
H 4.377348 -2.195453 -3.167017
H 2.649108 5.169463 1.371419
H -5.331719 1.350074 -0.054337
H -5.001795 -0.177120 0.667133
H -3.617655 -2.379920 -2.971953


