%chk=000217069.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217069

0 1
S 0.700417 0.527741 -1.200187
S -2.317185 -1.105734 0.181324
S 3.907077 -0.249871 -2.256311
P 2.679879 0.029306 -0.829396
O 3.028209 1.228177 0.263845
O 2.362150 -1.246335 0.188139
O -4.937367 -0.842153 -0.131759
N -2.298747 1.490466 0.218837
N -3.594972 1.167888 0.054776
C -0.013831 0.531926 0.503903
C -1.463131 0.466068 0.306174
C -3.805513 -0.159365 0.013300
C 4.405550 1.647255 0.389395
C 3.458301 -2.131051 0.509884
C -6.157586 -0.037560 -0.291059
H 0.288835 1.475601 1.022405
H 0.377005 -0.311973 1.116639
H 4.322704 2.486184 1.097918
H 4.811585 2.006489 -0.566113
H 5.023636 0.850937 0.817085
H 3.919231 -2.557799 -0.391441
H 2.953357 -2.926133 1.079725
H 4.193865 -1.623910 1.143607
H -6.309244 0.579761 0.600364
H -6.917713 -0.820271 -0.391474
H -6.074613 0.580755 -1.190979


%chk=000217069-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217069

0 1
S 0.821043 0.191305 -1.381366
S -2.468473 -1.235248 -0.530345
S 4.384343 -0.348425 -2.253771
P 2.957091 -0.276747 -0.767879
O 3.287169 0.808524 0.566251
O 2.646227 -1.686707 0.194083
O -5.120604 -0.522715 -0.531195
N -2.180424 1.179123 0.609843
N -3.560669 1.048252 0.384809
C 0.009431 0.031407 0.368232
C -1.466186 0.124238 0.220579
C -3.870521 -0.119442 -0.188125
C 3.883079 2.126628 0.258990
C 3.812583 -2.361591 0.815636
C -6.212504 0.450344 -0.242384
H 0.374005 0.864951 0.984657
H 0.350486 -0.933034 0.771159
H 4.123258 2.560100 1.241211
H 3.156906 2.767992 -0.272847
H 4.799383 2.009918 -0.347678
H 4.549964 -2.645504 0.043049
H 3.390999 -3.260665 1.288378
H 4.277672 -1.706075 1.571894
H -6.247921 0.659632 0.839294
H -7.123100 -0.056551 -0.588693
H -6.031338 1.386690 -0.795179


