%chk=000239914.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239914

0 1
S 3.801958 3.001752 0.378911
S -1.033888 -1.811729 0.772217
O 3.866802 -1.642311 0.322614
O 4.298217 -1.786702 -1.871495
O -0.402650 -1.136181 -1.725674
N 1.297646 -1.003355 -0.173779
C 2.314948 -0.522739 -1.129706
C 2.661140 0.968916 -0.941265
C 3.115630 1.314845 0.468235
C 3.580062 -1.375331 -0.997878
C 0.003586 -1.253566 -0.593283
C -2.652642 -1.954547 -0.053032
C -3.357837 -0.646049 0.069450
C -3.128632 0.360729 -0.883243
C -4.249196 -0.413764 1.128097
C 4.141695 3.366715 2.114044
C -3.787968 1.586398 -0.775120
C -4.905777 0.816143 1.229627
C -4.677885 1.816580 0.280032
H 1.921712 -0.669159 -2.185630
H 1.765052 1.572755 -1.212238
H 3.438114 1.244663 -1.690929
H 2.274589 1.284839 1.185041
H 3.884630 0.608645 0.839796
H 1.592789 -1.089873 0.800665
H -2.509729 -2.250655 -1.118034
H -3.194060 -2.789132 0.436442
H -2.428651 0.182826 -1.704103
H -4.430071 -1.185503 1.873253
H 4.582358 4.372759 2.161742
H 4.858063 2.662907 2.550174
H 3.229453 3.368432 2.719869
H 4.676793 -2.212570 0.431123
H -3.608337 2.365125 -1.515023
H -5.596691 0.994104 2.052051
H -5.191023 2.772636 0.361052


%chk=000239914-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239914

0 1
S 2.952202 3.101147 -0.047019
S -1.001470 -2.142650 0.508968
O 3.848075 -2.208877 0.620378
O 5.026787 -1.502070 -1.255594
O -0.126793 -0.942754 -1.841572
N 1.505769 -1.470119 -0.264153
C 2.620651 -1.000314 -1.103204
C 2.722505 0.559371 -1.181360
C 2.934092 1.222334 0.188327
C 3.950005 -1.583994 -0.634633
C 0.211512 -1.415791 -0.722645
C -2.615880 -1.680525 -0.419319
C -3.220624 -0.378678 0.044669
C -2.800149 0.849476 -0.531779
C -4.219160 -0.358433 1.052676
C 3.028015 3.607166 1.763803
C -3.364037 2.070813 -0.102948
C -4.784512 0.863276 1.481295
C -4.357394 2.082218 0.904935
H 2.456753 -1.355719 -2.139065
H 1.785655 0.922155 -1.639560
H 3.555556 0.809289 -1.863925
H 2.109410 0.973148 0.878685
H 3.896062 0.923869 0.643197
H 1.726738 -1.883194 0.645250
H -2.307014 -1.644464 -1.477527
H -3.274067 -2.545992 -0.245280
H -2.030350 0.836218 -1.312068
H -4.552874 -1.302068 1.502284
H 3.035841 4.708108 1.782162
H 3.949371 3.226203 2.233289
H 2.141051 3.236700 2.302684
H 4.735003 -2.564954 0.895737
H -3.033119 3.011932 -0.556469
H -5.557049 0.865281 2.258637
H -4.796365 3.030495 1.235148


