%chk=000229730.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229730

0 1
S -2.857565 -1.185158 -0.059327
O 2.800637 -2.562020 -0.024703
O 3.888086 1.930679 0.048053
O -5.839323 1.293506 -0.054043
O -5.642806 -0.946483 -0.082847
N 1.643371 1.427030 0.019810
N 3.349519 -0.322185 0.011643
N -0.159616 -1.670978 -0.040440
N -0.714452 0.559509 -0.014761
C 1.044245 -0.941995 -0.018883
C 0.673873 0.432064 -0.003338
C 2.410062 -1.413441 -0.012448
C 3.032175 1.068179 0.027918
C -1.176726 -0.734096 -0.037098
C 1.252761 2.857403 0.035368
C 4.804004 -0.644999 0.021027
C -3.650243 0.444054 -0.044590
C -5.105594 0.133985 -0.062865
H -0.214411 -2.676950 -0.054882
H 2.156342 3.497865 0.057223
H 0.638833 3.076788 0.926882
H 0.663631 3.103163 -0.865929
H 4.946886 -1.742405 0.006790
H 5.283391 -0.234036 0.926447
H 5.300590 -0.208573 -0.862956
H -3.335895 1.072958 -0.911244
H -3.352818 1.048834 0.844913
H -6.823156 1.125802 -0.065821


%chk=000229730-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229730

0 1
S -2.869734 -1.353572 -0.064280
O 2.876788 -2.616041 -0.023556
O 3.856973 2.005582 0.049024
O -5.691819 1.534768 -0.046893
O -5.796366 -0.790652 -0.084713
N 1.593570 1.384968 0.017955
N 3.348992 -0.283246 0.012713
N -0.101673 -1.737827 -0.041012
N -0.710010 0.460124 -0.017490
C 1.087069 -0.992234 -0.019189
C 0.677680 0.346914 -0.005136
C 2.459042 -1.417641 -0.011433
C 2.983525 1.092984 0.027815
C -1.146918 -0.828966 -0.039229
C 1.143395 2.790055 0.032313
C 4.805649 -0.552982 0.023059
C -3.613401 0.380481 -0.044703
C -5.122484 0.258543 -0.062017
H -0.150501 -2.756646 -0.055042
H 2.040736 3.425206 0.052489
H 0.523240 2.980663 0.924318
H 0.545644 3.006415 -0.869093
H 4.935361 -1.645009 0.007754
H 5.264212 -0.121180 0.927543
H 5.281743 -0.093926 -0.858637
H -3.251069 0.940323 -0.920796
H -3.269232 0.912537 0.855698
H -6.684611 1.458859 -0.057566


