%chk=000225946.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225946

0 1
S -3.659143 -2.634799 0.697102
O 0.513404 0.160356 -2.483731
O -0.067453 0.467651 2.102291
O -0.754436 2.935116 -0.210383
O -2.938355 2.605083 0.141634
N -0.122417 0.354202 -0.242598
C -1.539297 0.674296 -0.486944
C -2.488060 -0.259209 0.292151
C 0.822297 0.161289 -1.321908
C 0.508731 0.314509 1.060093
C 2.141134 -0.049329 -0.641546
C 1.955591 0.037793 0.767031
C -2.496919 -1.654484 -0.310878
C -1.862693 2.131100 -0.130045
C 3.383949 -0.292286 -1.185266
C 3.012186 -0.119117 1.637492
C 4.471516 -0.453195 -0.293281
C 4.290307 -0.369206 1.082043
C -3.729156 -4.190698 -0.217312
H -1.725599 0.572778 -1.602205
H -3.513017 0.182521 0.286952
H -2.192345 -0.288327 1.367744
H -2.824216 -1.643232 -1.366723
H -1.492503 -2.116044 -0.284661
H 3.530904 -0.357974 -2.264304
H 2.874567 -0.052958 2.717990
H 5.465005 -0.645227 -0.702626
H 5.141299 -0.495717 1.753941
H -0.960943 3.886296 0.009889
H -4.128628 -4.055634 -1.227717
H -4.404701 -4.865101 0.327491
H -2.749008 -4.673555 -0.283017


%chk=000225946-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225946

0 1
S -3.746785 -2.696036 0.584089
O 0.328289 -0.104187 -2.453357
O -0.010125 0.887029 2.135390
O -0.730193 3.060708 -0.137188
O -2.969535 2.704229 0.367710
N -0.179417 0.434115 -0.193690
C -1.584908 0.799759 -0.395587
C -2.575255 -0.169966 0.299547
C 0.684115 0.029134 -1.256644
C 0.509221 0.522556 1.052851
C 2.022541 -0.186333 -0.623543
C 1.917251 0.105834 0.758952
C -2.509901 -1.577741 -0.312642
C -1.861589 2.257105 0.011882
C 3.235009 -0.600520 -1.194541
C 3.021475 -0.006899 1.616323
C 4.358501 -0.717985 -0.335014
C 4.253113 -0.426230 1.048773
C -3.408735 -4.287903 -0.361054
H -1.738593 0.750162 -1.495613
H -3.590224 0.250978 0.188435
H -2.352584 -0.203572 1.380833
H -2.774399 -1.559467 -1.385574
H -1.504636 -2.021895 -0.199228
H 3.304864 -0.821562 -2.264087
H 2.929178 0.222436 2.682427
H 5.322627 -1.037818 -0.744336
H 5.137390 -0.525752 1.687168
H -0.953828 3.995089 0.122075
H -3.634036 -4.154920 -1.431566
H -4.076687 -5.053797 0.062908
H -2.360143 -4.599651 -0.227001


