%chk=000294498.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294498

0 1
S 1.900551 -0.585643 1.725568
O 1.431495 0.460774 2.583400
O 2.069677 -1.930364 2.243970
O 0.051683 3.098564 0.323943
O 1.424979 1.433765 0.366029
O -4.450230 2.645768 -0.485583
O -5.516527 0.774067 -0.466794
N 0.525484 -1.063736 0.633635
N 0.284122 1.906030 0.321715
N -4.485220 1.424698 -0.420283
C -0.633372 -0.441235 0.249419
C -1.775221 -1.274308 -0.152281
C -3.050789 -0.700162 -0.398891
C -0.810359 0.967579 0.204658
C -3.196127 0.735659 -0.267928
C 3.261402 -0.208842 0.779448
C -2.098372 1.525177 -0.003066
C -1.624891 -2.685050 -0.293562
C -4.124328 -1.551045 -0.780756
C -2.677553 -3.490089 -0.665588
C 3.829329 1.074241 0.814590
C 3.855659 -1.204859 -0.015410
C -3.945623 -2.911013 -0.911741
C 5.552029 0.370488 -0.743524
C 4.967781 1.361329 0.060083
C 4.987015 -0.921735 -0.770954
C 6.770883 0.670857 -1.546101
H 0.497671 -2.110223 0.543051
H -2.202809 2.628657 0.048924
H -0.648345 -3.142716 -0.102292
H -5.116536 -1.116121 -0.968043
H -2.549018 -4.566858 -0.770593
H 3.372829 1.862246 1.431407
H 3.436241 -2.215631 -0.032507
H -4.779293 -3.552560 -1.204939
H 5.395540 2.363123 0.092910
H 5.441829 -1.698722 -1.383323
H 6.826264 1.726174 -1.851610
H 7.682963 0.459905 -0.964030
H 6.832685 0.070413 -2.464950


%chk=000294498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294498

0 1
S 1.802050 -1.134333 0.856641
O 1.258609 -0.374483 2.177211
O 1.888662 -2.766975 0.791040
O -0.157389 3.209623 -0.793753
O 1.318916 1.587104 -0.182388
O -4.689296 2.757393 0.233706
O -5.784946 0.917637 -0.534001
N 0.448451 -0.923457 -0.649170
N 0.117761 1.998956 -0.430817
N -4.706273 1.525821 -0.158264
C -0.791511 -0.362986 -0.364580
C -1.978843 -1.214600 -0.235235
C -3.316144 -0.648211 -0.207438
C -0.991300 1.047285 -0.304514
C -3.413998 0.796537 -0.199043
C 3.461301 -0.452614 0.318507
C -2.283827 1.609986 -0.218421
C -1.824751 -2.632220 -0.098436
C -4.435155 -1.538493 -0.118217
C -2.934926 -3.473116 0.008434
C 3.867436 0.800130 0.804096
C 4.253808 -1.274930 -0.497946
C -4.246013 -2.920720 -0.021548
C 6.000137 0.465133 -0.393854
C 5.154849 1.244481 0.442518
C 5.534339 -0.795842 -0.851150
C 7.368331 0.981949 -0.794104
H 0.394316 -1.931452 -0.888615
H -2.391601 2.697029 -0.203460
H -0.826804 -3.076818 -0.012519
H -5.442130 -1.122688 -0.133686
H -2.793830 -4.551195 0.132735
H 3.207317 1.400042 1.435123
H 3.901551 -2.259301 -0.820103
H -5.117263 -3.579978 0.049554
H 5.502925 2.216956 0.808099
H 6.178934 -1.414792 -1.484681
H 7.276300 1.822001 -1.508592
H 7.926646 1.361173 0.080616
H 7.976858 0.198568 -1.275746


