%chk=000229175.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229175

0 1
S -0.783992 2.178205 0.540058
O -1.533264 3.004733 -0.379561
O -0.805114 2.446997 1.959424
O 1.681717 0.555766 -1.811685
N 0.871107 2.441910 -0.013966
N 1.733362 1.375655 0.313600
C -1.150950 0.514112 0.290759
C 3.313377 -0.429122 -0.310973
C 2.770718 -1.862580 -0.196797
C -1.552772 -0.268492 1.380615
C -1.092140 -0.055155 -0.986876
C -1.841770 -2.180102 -0.083708
C 2.211358 0.520953 -0.713600
C -1.895336 -1.607676 1.199714
C -1.433948 -1.394225 -1.175481
C 1.852193 -2.045188 1.005657
C -2.224643 -3.606402 -0.293285
H 4.102010 -0.390600 -1.095344
H 3.812367 -0.135086 0.632395
H 3.626015 -2.564759 -0.130280
H 2.229864 -2.127147 -1.130497
H 0.970610 2.748280 -1.006308
H -1.598628 0.174416 2.384003
H -0.762119 0.539547 -1.847865
H 2.324430 1.610543 1.122179
H -2.211323 -2.206027 2.051816
H -1.383764 -1.827982 -2.173029
H 0.961249 -1.404495 0.937096
H 1.497113 -3.079894 1.078596
H 2.355325 -1.805086 1.948685
H -1.540960 -4.121598 -0.983342
H -2.240676 -4.187695 0.638422
H -3.233217 -3.677306 -0.731824


%chk=000229175-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229175

0 1
S -0.382377 1.466932 0.180629
O -1.365726 2.733843 0.511139
O 0.744155 0.996643 1.308873
O 2.302850 -0.636829 -1.064138
N 1.195754 1.894742 -1.482897
N 2.315065 1.656045 -0.746351
C -1.513198 -0.019354 -0.138101
C 3.948663 0.296872 0.552101
C 4.301488 -1.136456 1.007581
C -0.938989 -1.282939 -0.347627
C -2.898589 0.214050 -0.149799
C -3.223256 -2.194719 -0.577154
C 2.808418 0.342675 -0.449223
C -1.814039 -2.371041 -0.567563
C -3.748633 -0.891238 -0.368506
C 3.244127 -1.747375 1.952510
C -4.153089 -3.375798 -0.786800
H 4.833521 0.780721 0.087654
H 3.664074 0.914771 1.427311
H 5.283410 -1.106066 1.517547
H 4.418736 -1.778082 0.114383
H 1.016619 1.002767 -2.016585
H 0.148136 -1.422786 -0.344742
H -3.286262 1.224432 0.017609
H 2.640901 2.450856 -0.188823
H -1.392191 -3.368752 -0.734477
H -4.834216 -0.737609 -0.376770
H 2.255596 -1.792177 1.464310
H 3.530263 -2.773394 2.246609
H 3.134902 -1.145394 2.873707
H -4.985165 -3.120315 -1.467011
H -3.619339 -4.244001 -1.209137
H -4.603410 -3.696525 0.172340


