%chk=000230726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230726

0 1
S -2.858137 0.106922 -0.046123
O -2.745476 -1.337443 -0.113424
O -2.684443 0.892614 -1.252754
N -1.698642 0.671121 1.121372
N 1.127613 0.278067 0.465235
C -0.828217 1.790582 0.666093
C -0.876018 -0.389355 1.766946
C 0.323755 1.319029 -0.247720
C 0.275889 -0.884794 0.865781
C -4.371363 0.549005 0.737061
C 2.424721 -0.011536 -0.052065
C -5.538320 0.122555 -0.137178
C 3.128467 0.954570 -0.808937
C 3.081516 -1.217128 0.289432
C 4.445381 0.717120 -1.197612
C 4.398865 -1.434841 -0.109244
C 5.090178 -0.475311 -0.855108
H -0.411654 2.284847 1.575107
H -1.440021 2.549985 0.129440
H -1.523471 -1.250232 2.047901
H -0.461492 0.034072 2.711912
H 0.977997 2.188842 -0.487238
H -0.080393 0.946632 -1.218193
H -0.131287 -1.431393 -0.016865
H 0.895336 -1.615400 1.435463
H -4.458781 0.087276 1.743494
H -4.422348 1.640346 0.937157
H -6.497949 0.384522 0.329436
H -5.519034 0.613254 -1.122494
H -5.553256 -0.965181 -0.306783
H 2.651600 1.893416 -1.082924
H 2.567970 -1.977129 0.874730
H 4.976413 1.471581 -1.777935
H 4.893407 -2.367057 0.163488
H 6.114994 -0.654056 -1.164752


%chk=000230726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230726

0 1
S -2.950369 0.053125 -0.075586
O -2.884821 -1.581525 -0.000357
O -2.900167 0.833397 -1.513997
N -1.630012 0.819679 1.128894
N 1.133793 0.236691 0.301276
C -0.790096 1.818154 0.398531
C -0.816015 -0.266779 1.752758
C 0.320943 1.200066 -0.475571
C 0.313159 -0.848268 0.870103
C -4.564550 0.611320 0.833103
C 2.485870 -0.007673 -0.060580
C -5.773119 0.074157 0.072829
C 3.338750 1.071932 -0.445075
C 3.052124 -1.317106 -0.015423
C 4.690869 0.847109 -0.767862
C 4.412597 -1.527612 -0.328161
C 5.246395 -0.453508 -0.709792
H -0.344251 2.450339 1.191074
H -1.450638 2.443717 -0.226313
H -1.493157 -1.080827 2.063989
H -0.377694 0.194707 2.659373
H 0.957652 2.008795 -0.865200
H -0.151228 0.699827 -1.351803
H -0.135719 -1.492872 0.080550
H 0.942544 -1.484508 1.515209
H -4.438081 0.199172 1.846067
H -4.477247 1.708677 0.844447
H -6.696219 0.391543 0.592128
H -5.805467 0.467654 -0.957549
H -5.762288 -1.028446 0.032598
H 2.954822 2.097380 -0.462603
H 2.430755 -2.182332 0.234119
H 5.319459 1.698785 -1.053445
H 4.815875 -2.546324 -0.287636
H 6.299331 -0.622946 -0.957395


