%chk=000212125.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212125

0 1
S 1.726260 -2.948121 1.604475
O -2.340357 2.135587 0.229324
O -5.051386 1.134383 0.731968
N -0.232941 -2.933607 -0.319389
N 1.470900 -1.180687 -0.304885
C -2.086907 -1.357993 -0.850828
C -1.031443 -2.286774 -1.398895
C -1.742396 -0.039947 -0.521074
C -3.398100 -1.814670 -0.654292
C -2.718409 0.818728 -0.008151
C -4.046907 0.365516 0.163210
C 0.861200 -2.252143 0.190761
C -4.380779 -0.956796 -0.155266
C 2.661834 -0.885617 0.408311
C 3.463281 0.269301 -0.028865
C 2.941072 -1.713681 1.462272
C 4.862769 0.237074 0.096859
C 2.838038 1.406274 -0.568047
C 5.624548 1.337127 -0.303950
C 3.606980 2.502916 -0.964839
C 4.998925 2.471218 -0.832179
C -2.383886 2.508619 1.635355
C -5.349939 2.363074 0.012078
H -1.482895 -3.108955 -2.002161
H -0.345204 -1.737942 -2.092642
H -0.719022 0.324849 -0.652839
H -0.806407 -3.431775 0.367558
H -3.662987 -2.841832 -0.901090
H -5.405345 -1.296271 -0.007653
H 3.765536 -1.660546 2.149002
H 5.354918 -0.648103 0.497092
H 1.752306 1.425056 -0.680393
H 6.708421 1.309491 -0.206656
H 3.119335 3.383029 -1.381007
H 5.595320 3.327111 -1.142714
H -3.379630 2.323160 2.052865
H -2.151922 3.578227 1.597884
H -1.613479 1.954533 2.179015
H -4.440252 2.951693 -0.155051
H -6.039984 2.868704 0.695705
H -5.837862 2.110789 -0.933266


%chk=000212125-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212125

0 1
S 1.941735 -2.908898 1.751735
O -2.642589 2.035079 1.035458
O -5.402349 1.229456 0.488928
N -0.196930 -2.662714 -0.054802
N 1.664935 -1.162061 -0.272267
C -2.134367 -1.211872 -0.735957
C -0.972189 -2.095019 -1.180963
C -1.885409 0.004492 -0.050944
C -3.474174 -1.597747 -0.984714
C -2.949964 0.822433 0.373990
C -4.296714 0.446802 0.083679
C 1.023842 -2.155749 0.319708
C -4.546933 -0.771070 -0.581378
C 2.922424 -0.898093 0.319541
C 3.759501 0.189281 -0.235566
C 3.242172 -1.706842 1.401586
C 5.048566 0.487460 0.286844
C 3.270949 0.964786 -1.322609
C 5.822567 1.530477 -0.260099
C 4.047325 2.008703 -1.868843
C 5.326992 2.298485 -1.341416
C -3.113478 2.107250 2.438607
C -5.467604 2.579391 -0.121098
H -1.350293 -2.930630 -1.799402
H -0.251161 -1.520609 -1.786928
H -0.860604 0.324415 0.167281
H -0.661425 -3.330080 0.560128
H -3.682959 -2.539151 -1.507413
H -5.587670 -1.045369 -0.781363
H 4.126676 -1.695411 2.033021
H 5.453216 -0.096535 1.121182
H 2.279563 0.730204 -1.721392
H 6.813888 1.745407 0.154922
H 3.653469 2.596362 -2.705843
H 5.930717 3.108728 -1.765191
H -4.208178 1.966989 2.497619
H -2.832474 3.111673 2.789865
H -2.602379 1.339179 3.049397
H -4.544604 3.151226 0.081581
H -6.337392 3.067805 0.343883
H -5.623494 2.492767 -1.213168


