%chk=000200826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200826

0 1
S -3.532470 0.229355 0.297979
O -4.483227 0.345560 1.438885
N -0.574409 0.313305 -1.079573
N 2.770479 -0.087756 0.501579
N 4.947010 -0.621193 1.237340
N 4.729811 1.012663 -0.508435
C -1.464099 -0.713765 -1.682860
C -1.282620 1.518416 -0.568423
C -2.067945 -1.811139 -0.782046
C -2.150689 1.364029 0.674159
C -2.648213 -1.352622 0.542427
C 0.442741 -0.235015 -0.135614
C 1.781994 0.486032 -0.424599
C 4.052365 0.110110 0.377361
H -0.848961 -1.217312 -2.468993
H -2.277217 -0.191873 -2.235892
H -1.884852 1.932109 -1.410968
H -0.496578 2.285227 -0.359839
H -2.847297 -2.342198 -1.369304
H -1.291443 -2.579900 -0.577282
H -1.563703 1.028506 1.545818
H -2.577811 2.336862 0.981929
H -3.367133 -2.093971 0.941425
H -1.868765 -1.268237 1.318638
H 0.577004 -1.327405 -0.288585
H 0.169197 -0.107347 0.933544
H 2.051401 0.352193 -1.495370
H 1.673743 1.581152 -0.256206
H 4.450714 -1.213833 1.904981
H 5.607695 -0.029718 1.734757
H 5.702582 0.796824 -0.700446
H 4.235696 1.218041 -1.369185


%chk=000200826-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200826

0 1
S -3.766080 0.305875 0.285732
O -4.624468 0.385775 1.728932
N -0.585133 0.224539 -0.931971
N 2.850295 -0.110517 0.603300
N 5.079715 -0.528207 1.214664
N 4.696295 0.955293 -0.565763
C -1.391679 -0.755519 -1.674667
C -1.231187 1.488820 -0.554671
C -2.137234 -1.858888 -0.848626
C -2.228753 1.448469 0.625305
C -2.803574 -1.383421 0.448755
C 0.507127 -0.269124 -0.076148
C 1.864426 0.420691 -0.355027
C 4.128371 0.117785 0.408701
H -0.750499 -1.278579 -2.413543
H -2.139261 -0.186314 -2.261425
H -1.745079 1.904367 -1.444642
H -0.443055 2.222423 -0.289236
H -2.885985 -2.331704 -1.514078
H -1.416830 -2.655727 -0.574135
H -1.803317 1.054953 1.564411
H -2.690291 2.432791 0.819742
H -3.596060 -2.059626 0.809197
H -2.088137 -1.202589 1.267867
H 0.640823 -1.352759 -0.248024
H 0.291963 -0.154904 1.009867
H 2.137371 0.240106 -1.421732
H 1.733739 1.522542 -0.239219
H 4.686412 -1.175487 1.896275
H 5.935170 -0.037005 1.471037
H 5.653354 0.808054 -0.878572
H 4.086563 1.524986 -1.145104


