%chk=000295717.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295717

0 1
S 4.944585 0.137637 0.312222
P -1.910010 0.065214 0.435505
O -3.457502 0.601515 0.400202
O -1.978022 -1.282594 -0.565417
O -1.292006 2.327121 -0.436140
O -1.435535 -0.146057 1.811484
N 2.609615 -0.579806 -0.825424
N 2.637985 1.366636 0.632139
N 0.654710 -1.258105 -1.955167
C -0.843831 1.029753 -0.801274
C 0.577402 0.737558 -0.487923
C 1.264114 -0.370529 -1.069020
C -3.992988 1.084751 -0.868723
C -2.432492 -2.525672 0.029328
C 1.316075 1.550885 0.393657
C -5.476510 1.232020 -0.587222
C -1.367134 -3.132526 0.921488
C 3.230062 0.311631 -0.010065
C 5.427491 -1.300394 -0.656797
H -1.095203 0.832646 -1.868272
H -3.512432 2.060544 -1.089955
H -3.793448 0.351025 -1.671032
H -3.388754 -2.359619 0.561059
H -2.622120 -3.140708 -0.873827
H 0.834195 2.382929 0.929932
H -0.720403 3.024326 -0.836584
H -5.996513 1.740046 -1.405954
H -5.955280 0.258401 -0.422126
H -5.637582 1.814643 0.333656
H -1.224356 -2.556054 1.854616
H -1.630235 -4.154502 1.218097
H -0.388178 -3.168645 0.429297
H 1.199384 -2.068910 -2.231279
H -0.338659 -1.455833 -1.828905
H 6.504997 -1.452977 -0.516056
H 5.224860 -1.162432 -1.727515
H 4.895416 -2.206819 -0.338206


%chk=000295717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295717

0 1
S 5.178645 0.363880 0.089028
P -1.980870 0.032662 0.558618
O -3.609800 0.588925 0.340277
O -1.894814 -1.431942 -0.432984
O -1.164407 2.415208 -0.386260
O -1.647464 -0.173796 2.095552
N 2.731643 -0.470371 -0.836837
N 2.794253 1.411794 0.714727
N 0.702874 -1.306625 -1.673017
C -0.773579 1.019967 -0.582936
C 0.671225 0.732276 -0.298949
C 1.367211 -0.353000 -0.938578
C -4.075471 1.039281 -1.007505
C -2.536430 -2.677219 0.093221
C 1.446140 1.544205 0.562726
C -5.545989 1.409364 -0.839189
C -1.613378 -3.422445 1.061904
C 3.370747 0.426963 -0.044844
C 5.560439 -1.091963 -1.036922
H -1.035685 0.671891 -1.603455
H -3.468326 1.910916 -1.316257
H -3.942652 0.213126 -1.734327
H -3.493790 -2.403096 0.576076
H -2.754583 -3.266823 -0.813962
H 0.971721 2.332968 1.157208
H -0.436936 3.000066 -0.722707
H -5.957108 1.769387 -1.800874
H -6.135253 0.537146 -0.509075
H -5.656423 2.209167 -0.088201
H -1.408508 -2.805347 1.952528
H -2.096636 -4.363152 1.386982
H -0.653930 -3.677387 0.578306
H 1.277877 -2.028434 -2.107589
H -0.293224 -1.492843 -1.479130
H 6.655458 -1.205915 -1.007551
H 5.216668 -0.876668 -2.058173
H 5.062053 -1.995068 -0.658033


