%chk=000273448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273448

0 1
S 0.200746 1.729407 -1.260067
S 1.961455 0.940025 0.991115
O -2.959411 0.486432 0.699890
O 0.965394 -2.279436 1.099723
O -2.021926 -0.546534 -1.083740
N 2.693898 -2.563932 -0.330941
C 0.567816 0.388729 -0.064893
C 0.999715 -0.837143 -0.846319
C -0.645924 0.174794 0.816786
C 1.125502 3.077734 -0.450145
C 2.386912 2.495858 0.134194
C 1.527460 -1.918483 0.077210
C -1.890195 -0.022657 -0.001764
C -4.267829 0.352319 0.082123
H 1.725492 -0.569054 -1.642998
H 0.115662 -1.258895 -1.403754
H -0.790026 1.005511 1.547120
H -0.497582 -0.741254 1.463144
H 0.487246 3.559003 0.317788
H 1.333718 3.844765 -1.223549
H 3.154754 2.294221 -0.638472
H 2.850415 3.166975 0.885832
H 3.276754 -2.224017 -1.073373
H 3.106308 -3.260654 0.272882
H -4.916749 0.892470 0.779035
H -4.529452 -0.708129 0.015502
H -4.257153 0.812843 -0.911128


%chk=000273448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273448

0 1
S 0.487999 1.863850 -1.451073
S 2.136727 1.134069 1.085446
O -2.937189 0.433956 0.672441
O 1.214782 -1.945015 1.381147
O -1.862330 -0.719394 -1.033457
N 2.110449 -2.999368 -0.472305
C 0.722580 0.529755 -0.091510
C 1.158705 -0.764255 -0.806754
C -0.553469 0.404811 0.770167
C 1.167978 3.280703 -0.406564
C 2.468993 2.792495 0.230934
C 1.487860 -1.927395 0.142656
C -1.797162 -0.027874 0.011604
C -4.233550 0.027483 0.076519
H 2.040254 -0.539877 -1.433521
H 0.331283 -1.087985 -1.469843
H -0.765704 1.358934 1.278012
H -0.351639 -0.350664 1.557605
H 0.421862 3.569809 0.351559
H 1.335731 4.121995 -1.101359
H 3.257694 2.657701 -0.526077
H 2.817913 3.479479 1.021968
H 2.336922 -2.998496 -1.465259
H 2.335063 -3.819152 0.091191
H -4.994142 0.469394 0.735067
H -4.315743 -1.072231 0.053860
H -4.318866 0.418168 -0.951256


