%chk=000233872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233872

0 1
S 1.088494 1.043529 -0.632178
O -1.154600 1.295191 -0.863649
O -3.924890 1.106452 -0.490469
N 1.572163 -1.184429 0.683573
C -0.847320 -0.663545 0.405824
C 0.581156 -0.447481 0.255293
C -1.744430 0.286006 -0.119266
C 2.761664 0.603621 -0.379266
C 2.830384 -0.618590 0.343304
C -1.351545 -1.801054 1.068084
C -3.144294 0.103418 0.048652
C -2.722976 -1.970305 1.220967
C -3.626345 -1.020894 0.720139
C 3.915161 1.271203 -0.779361
C 4.076763 -1.179456 0.669573
C 5.147795 0.705604 -0.451097
C 5.225432 -0.505250 0.265142
C -1.690055 2.637985 -0.665644
C -5.362263 0.981475 -0.353471
H -0.646916 -2.539449 1.460056
H -4.693238 -1.178435 0.854636
H -3.107538 -2.850514 1.736567
H 3.858869 2.205785 -1.333335
H 4.124642 -2.115423 1.223382
H 6.067781 1.204336 -0.752047
H 6.204843 -0.917993 0.504290
H -1.659802 2.907528 0.391813
H -2.709625 2.682866 -1.068721
H -0.998925 3.247240 -1.259516
H -5.716369 0.082526 -0.866682
H -5.711437 1.887323 -0.866277
H -5.647678 0.991726 0.702085


%chk=000233872-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233872

0 1
S 1.297282 1.238136 -0.857360
O -1.421139 1.539866 -0.951540
O -4.134208 1.037087 -0.526068
N 1.543670 -1.007206 0.617283
C -0.824320 -0.436521 0.303051
C 0.614786 -0.205904 0.111706
C -1.832105 0.444185 -0.182839
C 2.946965 0.604762 -0.462468
C 2.849342 -0.591821 0.321838
C -1.214500 -1.608968 1.018850
C -3.211734 0.138598 0.037807
C -2.568322 -1.886034 1.249350
C -3.574873 -1.016758 0.762630
C 4.198716 1.136213 -0.832755
C 4.027740 -1.259898 0.738688
C 5.363964 0.458651 -0.409484
C 5.277787 -0.729122 0.369426
C -1.902322 2.891859 -0.585529
C -5.557383 0.711317 -0.399515
H -0.422942 -2.269541 1.381134
H -4.627969 -1.254815 0.937819
H -2.856014 -2.784511 1.804842
H 4.275014 2.048366 -1.432923
H 3.941601 -2.171764 1.337061
H 6.346903 0.854879 -0.686996
H 6.196948 -1.234944 0.684171
H -1.683185 3.101498 0.478153
H -2.982304 2.979535 -0.779880
H -1.326760 3.574121 -1.228656
H -5.785753 -0.265865 -0.866585
H -6.082435 1.512950 -0.939279
H -5.877550 0.702647 0.660467


