%chk=000224098.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224098

0 1
S 1.999161 0.846177 0.578229
O 2.144925 -1.523466 -0.617538
C -2.758568 -1.632516 0.111279
C -1.792481 -0.473031 0.181317
C -2.500046 0.767251 0.095792
C -4.100271 -0.948889 -0.018803
C -3.933432 0.471613 -0.026947
C -0.413514 -0.498368 0.309851
C -1.816330 1.975003 0.131650
C -5.360226 -1.513154 -0.121690
C -5.032716 1.310405 -0.138369
C 0.254448 0.734562 0.343588
C -0.415993 1.954376 0.252224
C -6.470194 -0.654953 -0.234284
C -6.309888 0.730746 -0.242494
C 2.768060 -0.592686 -0.198044
C 4.236370 -0.419269 -0.149023
C 5.021424 -1.497123 0.294662
C 4.841483 0.782496 -0.542076
C 6.409224 -1.362799 0.358277
C 6.233322 0.906085 -0.480415
C 7.014926 -0.161107 -0.027954
H -2.704647 -2.269803 1.014600
H -2.545187 -2.291601 -0.752843
H 0.132431 -1.442265 0.364563
H -2.347274 2.921759 0.064437
H -5.498111 -2.590962 -0.116876
H -4.915185 2.391069 -0.145648
H 0.130057 2.898204 0.271589
H -7.467529 -1.084862 -0.316156
H -7.182068 1.376219 -0.330631
H 4.543644 -2.434472 0.585151
H 4.239393 1.618621 -0.904475
H 7.020606 -2.194602 0.705968
H 6.707341 1.838309 -0.785532
H 8.099048 -0.058867 0.022321


%chk=000224098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224098

0 1
S 2.008702 1.219495 0.774518
O 2.072161 -1.099718 -0.729838
C -2.762968 -1.486392 0.784345
C -1.821242 -0.316425 0.524784
C -2.544317 0.775913 -0.046268
C -4.108912 -0.951304 0.307718
C -3.959706 0.383988 -0.179391
C -0.442940 -0.218344 0.771013
C -1.876905 1.974701 -0.381618
C -5.367654 -1.576928 0.296710
C -5.073613 1.095076 -0.679064
C 0.218585 0.984758 0.423023
C -0.486188 2.072259 -0.150757
C -6.485358 -0.862999 -0.205013
C -6.337746 0.461649 -0.688332
C 2.775522 -0.238292 -0.158953
C 4.269755 -0.267592 -0.125716
C 4.914089 -1.360926 -0.768921
C 5.055022 0.732159 0.507292
C 6.320063 -1.450976 -0.776645
C 6.461946 0.636716 0.498841
C 7.097798 -0.453038 -0.142018
H -2.785527 -1.771065 1.854652
H -2.454986 -2.390583 0.223476
H 0.116736 -1.050266 1.207636
H -2.416139 2.819890 -0.822851
H -5.489955 -2.601029 0.668047
H -4.966260 2.119111 -1.054339
H 0.055939 2.984965 -0.418006
H -7.472673 -1.338167 -0.220186
H -7.212988 0.997663 -1.072250
H 4.294164 -2.121938 -1.253915
H 4.573769 1.582946 1.001052
H 6.810207 -2.294741 -1.274126
H 7.062611 1.410515 0.988444
H 8.191210 -0.522981 -0.147645


