%chk=000219183.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219183

0 1
S 1.666814 2.147720 -0.017097
O -3.839952 -1.171156 0.127436
O -1.855072 -2.240542 0.106883
N 0.368835 -0.689305 0.044053
C -0.502830 0.396781 0.045025
C -0.035597 1.738685 0.018085
C 1.787173 -0.616309 0.015714
C 2.483174 0.602176 -0.013740
C -1.909875 0.175382 0.073563
C -0.914661 2.807788 0.018914
C -2.787544 1.284331 0.073778
C 2.508868 -1.829486 0.017563
C 3.878937 0.623202 -0.041381
C -2.305265 2.580988 0.046994
C 3.902646 -1.799060 -0.010033
C 4.590179 -0.579805 -0.039523
C -2.462904 -1.180663 0.102697
C -4.488737 -2.472834 0.157171
H -0.047226 -1.646613 0.065493
H -0.544086 3.836902 -0.001999
H -3.866412 1.093983 0.095683
H 1.984475 -2.783653 0.040323
H 4.417202 1.572949 -0.064380
H -2.988012 3.427565 0.047399
H 4.460391 -2.736134 -0.008596
H 5.677975 -0.567607 -0.061015
H -4.181474 -3.015875 1.056648
H -4.223579 -3.035090 -0.743855
H -5.549942 -2.204022 0.179097


%chk=000219183-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219183

0 1
S 1.733241 2.264602 -0.020158
O -3.853627 -1.204231 0.128213
O -1.756471 -2.205836 0.103190
N 0.363971 -0.612937 0.043247
C -0.512753 0.468570 0.044161
C -0.050337 1.824004 0.017017
C 1.773376 -0.592629 0.015752
C 2.527102 0.611194 -0.014777
C -1.938167 0.237986 0.073253
C -0.961772 2.891046 0.018618
C -2.841433 1.342513 0.074307
C 2.463021 -1.832579 0.018720
C 3.935954 0.565577 -0.041856
C -2.362802 2.656963 0.047295
C 3.872982 -1.876309 -0.008224
C 4.616386 -0.674841 -0.038725
C -2.458993 -1.142398 0.101819
C -4.426182 -2.567881 0.157232
H -0.108979 -1.534259 0.065374
H -0.582974 3.919595 -0.002468
H -3.912753 1.132213 0.096588
H 1.880726 -2.761567 0.042389
H 4.505331 1.502025 -0.065501
H -3.055053 3.504195 0.048040
H 4.385480 -2.844070 -0.005375
H 5.710695 -0.695794 -0.059879
H -4.082869 -3.111003 1.054517
H -4.125420 -3.131182 -0.742939
H -5.514181 -2.412669 0.181070


