%chk=000237351.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237351

0 1
S 0.002060 -1.614444 1.394532
O 0.001039 -0.878652 2.649748
O 0.004583 -3.075535 1.397129
O -2.753118 2.728295 0.833598
O 2.741437 2.738038 0.831677
O -4.469635 2.464289 -0.569681
O 4.458580 2.479796 -0.571911
N -4.721713 0.020799 -1.776898
N 4.719081 0.036924 -1.778591
C -1.367894 -1.103029 0.472405
C 1.369884 -1.098329 0.471865
C -1.874725 0.180335 0.596309
C 1.872156 0.186868 0.595315
C -2.008995 -2.028832 -0.381506
C 2.014034 -2.022028 -0.382031
C -2.994608 0.598346 -0.150427
C 2.990329 0.608701 -0.151833
C -3.631781 -0.336922 -1.027940
C 3.630607 -0.324496 -1.029288
C -3.111514 -1.665787 -1.123785
C 3.115042 -1.655223 -1.124702
C -3.503392 1.955702 -0.023113
C 3.494283 1.967902 -0.024995
H -1.413125 0.902015 1.289579
H 1.408172 0.907063 1.288534
H -1.622102 -3.056202 -0.440548
H 1.630774 -3.050779 -0.440748
H -3.597249 -2.387026 -1.775746
H 3.603151 -2.374871 -1.776650
H -5.187942 -0.638469 -2.375592
H -5.128008 0.957864 -1.709928
H 5.187494 -0.620814 -2.377262
H 5.122050 0.975447 -1.711944
H -3.120613 3.651240 0.920637
H 3.105654 3.662313 0.918391


%chk=000237351-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237351

0 1
S 0.001898 -1.515296 1.409774
O 0.000541 -0.577311 2.751742
O 0.004780 -3.157266 1.445977
O -3.138610 2.746502 0.914500
O 3.126725 2.757753 0.912057
O -4.871987 2.352779 -0.568771
O 4.861280 2.369708 -0.571327
N -4.968061 -0.051960 -1.762141
N 4.965787 -0.035116 -1.763843
C -1.510498 -1.026610 0.399731
C 1.512177 -1.021410 0.399078
C -2.062066 0.239337 0.579874
C 2.059212 0.246586 0.578620
C -2.087658 -1.997355 -0.450633
C 2.092595 -1.990356 -0.451114
C -3.230520 0.595520 -0.146457
C 3.226198 0.606718 -0.148120
C -3.837253 -0.363016 -1.045785
C 3.836202 -0.349964 -1.047214
C -3.239134 -1.661817 -1.168576
C 3.242685 -1.650933 -1.169453
C -3.829528 1.926728 0.018979
C 3.820448 1.940127 0.016734
H -1.626029 0.951432 1.287077
H 1.620781 0.957362 1.285666
H -1.645796 -2.997862 -0.510272
H 1.654292 -2.992454 -0.510299
H -3.705997 -2.399505 -1.830892
H 3.712022 -2.387164 -1.831644
H -5.391458 -0.738189 -2.382152
H -5.379966 0.881675 -1.638274
H 5.391549 -0.720039 -2.383679
H 5.374392 0.900012 -1.640310
H -3.610086 3.619462 0.979300
H 3.595080 3.632423 0.976445


