%chk=000245201.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245201

0 1
S 3.139664 0.001020 -0.431584
O -0.931880 -2.718378 0.379580
O -3.394510 -1.292129 0.572690
N 0.879934 -1.383448 0.006572
N 0.678432 1.001444 -0.199556
N -1.408415 2.079907 -0.025843
N -2.753329 -0.304939 0.389963
C -0.708435 0.910823 -0.004643
C -0.586962 -1.573444 0.221827
C 1.396171 -0.127415 -0.185435
C -1.351529 -0.350139 0.205296
C 1.756622 -2.578361 0.006001
C -0.763780 3.390484 -0.239857
C 3.441437 1.760333 -0.643764
H 1.136951 -3.486816 0.176316
H 2.503314 -2.530227 0.816738
H 2.266968 -2.702990 -0.964133
H -2.421200 2.067832 0.111970
H -0.014828 3.597768 0.548401
H -1.520839 4.190161 -0.230283
H -0.229151 3.416531 -1.208824
H 3.131454 2.338655 0.238619
H 2.897972 2.168031 -1.508373
H 4.519340 1.901097 -0.801577


%chk=000245201-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245201

0 1
S 3.233972 -0.049060 -0.440600
O -0.990021 -2.752097 0.393162
O -3.453837 -1.227349 0.574983
N 0.902201 -1.390947 0.004164
N 0.724195 0.998577 -0.205884
N -1.359777 2.067503 -0.030538
N -2.713742 -0.185822 0.372736
C -0.639097 0.917162 -0.014684
C -0.563761 -1.581713 0.221155
C 1.427040 -0.135602 -0.189345
C -1.320957 -0.340451 0.200838
C 1.746637 -2.605779 0.009128
C -0.789504 3.399955 -0.237564
C 3.444899 1.808216 -0.648862
H 1.071190 -3.457756 0.181952
H 2.496342 -2.554727 0.817896
H 2.258708 -2.726670 -0.961369
H -2.368419 1.915946 0.120914
H -0.054696 3.647061 0.549592
H -1.604236 4.140869 -0.211882
H -0.274196 3.466314 -1.212423
H 3.093846 2.319096 0.257266
H 2.871164 2.146120 -1.521823
H 4.525450 1.956955 -0.798708


