%chk=000230705.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230705

0 1
S 0.226820 -0.296204 1.485645
O 0.242591 0.850810 2.374443
O 0.254081 -1.620865 2.101684
O 0.856384 -2.256533 -0.654247
O -1.883590 3.272334 0.456692
O 0.033713 2.270391 0.308713
N -1.184997 2.284577 0.332731
C 1.525462 -0.193131 0.353518
C -1.262061 -0.220457 0.548574
C -1.868962 0.965822 0.131488
C 1.782666 -1.222527 -0.557828
C 2.367260 0.922657 0.358939
C -1.910045 -1.425389 0.269127
C 3.460836 0.996626 -0.520015
C -3.750859 -0.241589 -0.788567
C -3.101126 0.980393 -0.519115
C -3.140907 -1.440899 -0.398441
C 2.870412 -1.179979 -1.437405
C 3.705931 -0.061737 -1.411460
C 4.347754 2.197322 -0.494242
C -5.070500 -0.233957 -1.480376
C 1.251837 -3.485558 0.019698
H 2.161642 1.752583 1.052739
H -1.446244 -2.374221 0.578675
H -3.562699 1.928629 -0.808822
H -3.625202 -2.395030 -0.607699
H 3.040937 -1.997411 -2.133754
H 4.554936 -0.010868 -2.094805
H 4.883226 2.276626 0.463933
H 5.105467 2.186996 -1.287648
H 3.768491 3.125887 -0.615820
H -5.015019 0.277026 -2.454153
H -5.462780 -1.242475 -1.671204
H -5.831004 0.296506 -0.884834
H 1.178765 -3.321005 1.108930
H 2.254022 -3.790355 -0.284895
H 0.493661 -4.195292 -0.326199


%chk=000230705-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230705

0 1
S 0.234811 -0.207305 1.440960
O 0.294036 1.063399 2.460620
O 0.247481 -1.713948 2.089994
O 0.914685 -2.072291 -0.917927
O -1.972789 3.285724 -0.699722
O -0.020412 2.223634 -0.188461
N -1.297658 2.241378 -0.360753
C 1.709257 -0.090144 0.263097
C -1.439238 -0.156970 0.455196
C -2.024099 0.961810 -0.175999
C 1.911735 -1.105763 -0.692548
C 2.601888 0.966950 0.472406
C -2.158465 -1.354731 0.553778
C 3.792663 1.024823 -0.295519
C -4.068922 -0.324553 -0.618104
C -3.329841 0.879142 -0.703639
C -3.460840 -1.439209 0.012595
C 3.095046 -1.043099 -1.463726
C 4.018262 0.005605 -1.257944
C 4.784659 2.154716 -0.090067
C -5.471448 -0.406595 -1.188392
C 1.248312 -3.445522 -0.467070
H 2.360623 1.727739 1.223852
H -1.689147 -2.198451 1.073153
H -3.745974 1.770792 -1.183486
H -4.012316 -2.382704 0.089832
H 3.268825 -1.801190 -2.235140
H 4.927732 0.042340 -1.868871
H 5.228346 2.118171 0.922439
H 5.609140 2.105399 -0.821321
H 4.294588 3.139732 -0.194418
H -5.481934 -0.146819 -2.262771
H -5.893898 -1.419174 -1.079634
H -6.150191 0.300643 -0.676884
H 1.259568 -3.468165 0.637308
H 2.222555 -3.770650 -0.878346
H 0.443861 -4.085012 -0.860491


