%chk=000216892.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216892

0 1
S 5.224107 -0.847056 -0.478002
O 0.868118 -1.767031 -0.763127
O -1.354072 1.559657 0.523561
N -1.106933 -0.583190 -0.270006
N 2.246931 -1.600850 -0.719895
C 2.515167 -0.366647 -0.246522
C 0.287406 -0.565954 -0.289248
C 3.848166 0.143073 -0.069717
C 1.274889 0.329938 0.041876
C -3.352809 0.268851 0.109344
C -1.883927 0.533688 0.167422
C 4.262163 1.362198 0.398541
C -4.151313 1.084188 -0.703990
C -3.927012 -0.746493 0.885940
C 5.695974 1.494521 0.426694
C -5.531739 0.869716 -0.749214
C -5.308430 -0.950683 0.838735
C 6.352661 0.383759 -0.016840
C -6.109060 -0.146057 0.020016
H 1.164108 1.326641 0.428074
H -1.561725 -1.436803 -0.608989
H 3.602689 2.157923 0.719419
H -3.697833 1.884661 -1.291465
H -3.304553 -1.365507 1.532833
H 6.175417 2.400845 0.772033
H -6.158029 1.499134 -1.381363
H -5.762393 -1.735840 1.443010
H 7.415314 0.227446 -0.095107
H -7.186683 -0.309227 -0.015313


%chk=000216892-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216892

0 1
S 5.347724 -0.965329 0.013397
O 0.898333 -1.985236 -0.094065
O -1.336589 1.598628 -0.019539
N -1.070002 -0.715269 -0.062957
N 2.364797 -1.817756 -0.066634
C 2.542918 -0.464361 -0.003600
C 0.319415 -0.710521 -0.045816
C 3.882198 0.098461 0.040391
C 1.296368 0.266880 0.010233
C -3.346958 0.223274 -0.001323
C -1.863035 0.447217 -0.022968
C 4.244822 1.442520 0.105558
C -4.170252 1.324657 -0.352708
C -3.953135 -1.005781 0.374437
C 5.666517 1.659325 0.135834
C -5.573394 1.195072 -0.351626
C -5.358855 -1.132216 0.378911
C 6.399264 0.482210 0.094127
C -6.171946 -0.035353 0.010082
H 1.133114 1.337330 0.049099
H -1.514916 -1.630857 -0.155936
H 3.512610 2.253360 0.131330
H -3.684853 2.269440 -0.617913
H -3.351260 -1.860678 0.707575
H 6.125578 2.649146 0.186696
H -6.200020 2.048888 -0.630243
H -5.818846 -2.079662 0.679019
H 7.479649 0.348360 0.103861
H -7.262646 -0.136848 0.013478


