%chk=000296290.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296290

0 1
S 0.078021 2.401865 0.931367
O -0.472954 3.215935 1.996689
O 1.019381 2.968380 0.011409
O 3.403054 -2.892438 2.298594
O 2.616752 -1.028430 -1.865464
O -5.495131 0.207555 -2.137509
N 0.820670 1.138711 1.902269
N 1.658734 0.052664 0.002896
N 3.013953 -1.989768 0.161809
C -1.209907 1.595818 0.114935
C -1.013110 1.009617 -1.137039
C -2.473536 1.555640 0.718998
C -3.327473 0.310783 -1.169246
C -2.071628 0.359439 -1.781936
C -3.535738 0.914996 0.077595
C 1.558767 0.081669 1.384202
C -4.482539 -0.383922 -1.850238
C 2.150547 -0.910018 2.191410
C 2.854634 -1.930570 1.524430
C 2.414570 -0.962598 -0.528690
C -4.275810 -1.842808 -2.122109
C 4.157243 -3.953206 1.628994
C 2.225019 0.145186 -2.646245
H -0.022076 1.045485 -1.620664
H -2.636200 2.038671 1.691065
H 0.786727 1.221261 2.930333
H -1.913992 -0.099705 -2.756889
H -4.525499 0.897208 0.537062
H 2.085713 -0.906067 3.272078
H -3.788278 -2.364401 -1.287562
H -3.646859 -1.998565 -3.010743
H -5.233194 -2.349988 -2.321060
H 4.476402 -4.560448 2.482647
H 5.003647 -3.519719 1.085867
H 3.499316 -4.502348 0.947903
H 2.816357 1.012281 -2.327548
H 1.151674 0.347272 -2.527875
H 2.480746 -0.181140 -3.660534


%chk=000296290-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296290

0 1
S 0.101593 2.265051 0.946311
O -0.481118 3.226858 2.122420
O 1.102665 2.839312 -0.190085
O 4.264915 -2.411617 2.659718
O 2.423808 -1.735624 -1.561081
O -5.732081 -0.699376 -1.133245
N 0.855263 0.928459 2.001017
N 1.618183 -0.385782 0.195126
N 3.326860 -2.092349 0.517715
C -1.342320 1.400124 0.094515
C -1.250394 1.188525 -1.287309
C -2.468419 1.081851 0.871427
C -3.518047 0.242713 -1.188840
C -2.361653 0.602655 -1.930930
C -3.561744 0.488360 0.211305
C 1.728515 -0.048603 1.522408
C -4.727097 -0.392714 -1.835940
C 2.632008 -0.693180 2.398138
C 3.397862 -1.741096 1.826336
C 2.443839 -1.375512 -0.231500
C -4.710230 -0.653266 -3.336006
C 5.087813 -3.483252 2.049141
C 1.526001 -0.968198 -2.446525
H -0.348786 1.488699 -1.828739
H -2.492977 1.302640 1.942724
H 0.981943 1.306528 2.949207
H -2.321144 0.433247 -3.011355
H -4.469202 0.209038 0.756110
H 2.745303 -0.426485 3.449371
H -3.876246 -1.324002 -3.615221
H -4.582940 0.288542 -3.902015
H -5.661190 -1.121902 -3.629601
H 5.697299 -3.860621 2.882516
H 5.717615 -3.072523 1.243026
H 4.442035 -4.273753 1.632800
H 1.775626 0.106416 -2.411135
H 0.473974 -1.108479 -2.144025
H 1.710469 -1.386386 -3.446579


