%chk=000211021.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211021

0 1
S 1.899219 -0.484103 -0.215444
O 4.493338 -0.573749 -0.437747
O -0.889604 -3.304916 0.255926
O 1.088487 -2.426247 0.010749
O -4.271546 2.044622 0.130197
O -4.704173 -0.067497 0.335142
N -0.149322 -2.353871 0.114684
N -3.941963 0.872258 0.193667
C 0.246433 0.051836 -0.111712
C -0.687228 -0.999334 0.054569
C -2.065229 -0.753886 0.157027
C -2.501059 0.569004 0.090350
C -0.224621 1.377049 -0.175318
C -1.581683 1.635602 -0.075775
C 2.810814 1.082547 -0.421517
C 4.239419 0.606217 -0.513371
C 5.281210 1.666243 -0.699135
H -2.776409 -1.586043 0.286227
H 0.470684 2.207658 -0.302828
H -1.968268 2.663080 -0.123209
H 2.506751 1.628305 -1.330304
H 2.666630 1.766514 0.431485
H 6.290725 1.224574 -0.740163
H 5.138441 2.226164 -1.632806
H 5.282457 2.394874 0.122006


%chk=000211021-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211021

0 1
S 2.041702 -0.714736 -0.201693
O 4.912239 -0.400599 -0.472505
O -1.495661 -3.396765 0.301678
O 0.737793 -2.985235 0.090748
O -4.108137 2.282705 0.098333
O -4.743956 0.098803 0.318152
N -0.495798 -2.595644 0.160468
N -3.851353 1.018074 0.171339
C 0.303269 -0.187644 -0.092079
C -0.757399 -1.141609 0.071462
C -2.110317 -0.757794 0.157530
C -2.433844 0.603040 0.081662
C -0.090067 1.183163 -0.162863
C -1.428895 1.583772 -0.078762
C 2.892535 0.975120 -0.414947
C 4.407802 0.746885 -0.531472
C 5.243593 2.003045 -0.731864
H -2.883827 -1.520410 0.281428
H 0.662879 1.962493 -0.286769
H -1.712675 2.638052 -0.134666
H 2.526075 1.478254 -1.328356
H 2.687393 1.621811 0.457761
H 6.309621 1.733935 -0.779956
H 4.956502 2.518760 -1.667913
H 5.084029 2.719424 0.095983


