%chk=000257174.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257174

0 1
S 1.024527 0.465069 -1.596490
O 1.003856 -0.547025 2.147487
N 1.638622 1.268518 0.855963
N 2.143813 2.846010 -0.866787
C 0.657798 -0.746945 -0.262013
C -0.839711 -1.039859 -0.238811
C -1.721854 0.188427 0.015825
C -3.209219 -0.198368 0.178075
C 1.486943 -2.010280 -0.490882
C 1.103266 -0.038612 1.064140
C -3.818098 -0.658242 -1.152664
C -3.997052 0.991593 0.742529
C 2.994462 -1.784930 -0.455821
C 1.672728 1.660418 -0.400305
H -1.146820 -1.528368 -1.186404
H -1.032540 -1.793495 0.559807
H -1.384164 0.713593 0.932340
H -1.619392 0.921202 -0.807082
H -3.280756 -1.041754 0.909959
H 1.201377 -2.483249 -1.452922
H 1.216175 -2.750913 0.297451
H -3.294388 -1.531219 -1.554897
H -3.772098 0.130557 -1.911370
H -4.871347 -0.933690 -1.032210
H -3.949868 1.861679 0.079276
H -5.054673 0.739864 0.875494
H -3.610424 1.301027 1.720018
H 3.337540 -1.122404 -1.259553
H 3.324820 -1.348440 0.496477
H 3.531301 -2.734827 -0.571618
H 2.110129 3.083136 -1.844086
H 2.499449 3.542026 -0.223728


%chk=000257174-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257174

0 1
S 1.065839 0.575082 -1.688710
O 1.012531 -0.617908 2.123702
N 1.696459 1.279477 0.887949
N 2.209806 2.907760 -0.737460
C 0.681955 -0.707655 -0.299440
C -0.838873 -1.013108 -0.241486
C -1.757582 0.198162 0.022279
C -3.252900 -0.180076 0.207455
C 1.500721 -2.008722 -0.523861
C 1.146885 -0.008900 1.032899
C -3.865605 -0.800860 -1.071792
C -4.063351 1.062582 0.646813
C 3.032017 -1.836536 -0.538932
C 1.719895 1.690754 -0.371377
H -1.126618 -1.525481 -1.179335
H -0.964173 -1.745386 0.582525
H -1.414050 0.716858 0.939812
H -1.669892 0.924977 -0.810448
H -3.313836 -0.934390 1.021153
H 1.157591 -2.484030 -1.463189
H 1.217350 -2.686671 0.305642
H -3.365070 -1.743451 -1.358341
H -3.781652 -0.097431 -1.923246
H -4.938362 -1.025595 -0.924268
H -4.027281 1.848358 -0.132862
H -5.125577 0.807634 0.819485
H -3.660054 1.494630 1.581601
H 3.354258 -1.163938 -1.353513
H 3.396682 -1.422857 0.418357
H 3.523396 -2.814603 -0.688874
H 2.224022 3.210815 -1.708568
H 2.569870 3.521007 -0.006771


