%chk=000223618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223618

0 1
S 2.638014 -0.660034 1.111090
O 3.275128 0.534072 1.599428
O 2.607252 -1.884567 1.870363
N 0.962253 -0.347010 0.824059
N 3.298267 -1.004678 -0.433313
C 0.391864 0.853497 0.331791
C -0.950953 0.845445 -0.132455
C -1.788645 -0.371838 -0.066211
C 1.138793 2.046447 0.274478
C -1.499792 2.019040 -0.662803
C 0.567096 3.200645 -0.258750
C -0.747075 3.192961 -0.736062
C -2.029126 -1.123336 -1.226819
C -2.351146 -0.773903 1.155825
C 2.737346 -2.201749 -1.104990
C 3.467942 0.162351 -1.331337
C -2.824793 -2.270270 -1.161866
C -3.145355 -1.921800 1.213028
C -3.382060 -2.672097 0.056354
H 0.282581 -1.084589 1.073325
H 2.152624 2.096221 0.686036
H -2.530863 2.010330 -1.019796
H 1.152766 4.119944 -0.294854
H -1.184493 4.096919 -1.151690
H -1.598281 -0.807299 -2.174885
H -2.174632 -0.183322 2.054137
H 2.720974 -3.052034 -0.394976
H 3.402305 -2.499710 -1.935912
H 1.724760 -2.058051 -1.515575
H 4.122556 -0.116811 -2.176467
H 2.525467 0.556696 -1.746828
H 3.985958 0.976028 -0.786280
H -3.012706 -2.851543 -2.063299
H -3.582610 -2.231555 2.161478
H -4.001118 -3.565900 0.104276


%chk=000223618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223618

0 1
S 2.721364 -0.515717 1.153600
O 3.685276 0.778661 1.255338
O 2.865817 -1.796938 2.127369
N 0.869029 0.126316 1.587539
N 2.998860 -1.195215 -0.602396
C 0.333100 1.141057 0.757742
C -0.822007 0.940497 -0.082340
C -1.558381 -0.356121 -0.113191
C 0.987324 2.408910 0.773366
C -1.259691 2.021356 -0.889241
C 0.535408 3.456042 -0.048359
C -0.590024 3.263714 -0.888077
C -1.886664 -0.965676 -1.356909
C -1.970749 -1.005672 1.085941
C 2.106791 -2.338153 -0.888564
C 3.076231 -0.136457 -1.632271
C -2.590895 -2.188367 -1.400992
C -2.672310 -2.230972 1.040648
C -2.981126 -2.830142 -0.201977
H 0.335560 -0.764448 1.573416
H 1.854092 2.535398 1.428239
H -2.155446 1.886412 -1.506344
H 1.049654 4.422718 -0.027986
H -0.954616 4.081226 -1.519037
H -1.574971 -0.480931 -2.289537
H -1.795090 -0.520028 2.053880
H 2.071955 -2.997227 -0.004860
H 2.562029 -2.909180 -1.719025
H 1.075388 -2.046069 -1.186188
H 3.666461 -0.545716 -2.474057
H 2.087966 0.194221 -2.016126
H 3.623793 0.726294 -1.218655
H -2.831295 -2.642532 -2.368782
H -2.986905 -2.708841 1.974812
H -3.525630 -3.779921 -0.236476


