%chk=000223934.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223934

0 1
S 1.142215 -2.913669 -0.188092
O 0.600675 -3.513529 0.996096
O 1.932176 -3.685178 -1.117507
O 3.607878 2.812665 2.115988
O 5.112500 2.351889 0.628591
O -3.477191 2.487972 -2.893268
O -2.617817 0.536045 -3.217204
N -0.163217 -2.360608 -1.209402
N -1.015948 -1.505262 -0.600062
N 4.085396 2.115088 1.238758
N -3.163731 1.371580 -2.512359
C 1.986006 -1.452756 0.223958
C 1.485181 -0.620452 1.228198
C 3.166829 -1.131076 -0.452094
C 3.349921 0.864607 0.882899
C 2.169086 0.552544 1.566217
C 3.861457 0.037109 -0.124559
C -2.964780 -0.132685 -0.483904
C -3.479763 1.021596 -1.111578
C -2.093937 -1.083596 -1.203873
C -3.314353 -0.382137 0.855384
C -4.322225 1.903219 -0.406375
C -4.153254 0.490715 1.547452
C -4.659485 1.635503 0.916838
H 0.557166 -0.877961 1.754780
H 3.556707 -1.793643 -1.237330
H 1.792598 1.219586 2.350307
H 4.789345 0.307210 -0.642277
H -0.340056 -2.745084 -2.151265
H -2.426687 -1.349970 -2.223020
H -2.918778 -1.272470 1.351955
H -4.703828 2.799668 -0.911188
H -4.417363 0.281208 2.586399
H -5.314922 2.315875 1.461537


%chk=000223934-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223934

0 1
S 1.081946 -2.702849 -0.274379
O 0.239130 -3.267241 0.991320
O 1.870584 -3.652185 -1.330773
O 4.624131 2.145438 2.940416
O 5.929411 1.882887 1.087366
O -5.551988 1.392537 -3.300960
O -3.927238 -0.168647 -3.566092
N -0.035649 -1.656601 -1.454757
N -1.028937 -0.996649 -0.825946
N 4.901650 1.593917 1.809086
N -4.602110 0.656101 -2.829060
C 2.249443 -1.366083 0.359681
C 1.954268 -0.772796 1.597518
C 3.370988 -1.051496 -0.424992
C 3.966779 0.548853 1.298625
C 2.839628 0.213713 2.079454
C 4.254998 -0.066320 0.060454
C -3.130906 0.180725 -0.772145
C -4.293203 0.763929 -1.376895
C -2.097958 -0.583180 -1.490776
C -2.981901 0.377850 0.635138
C -5.240122 1.494316 -0.616145
C -3.921559 1.092610 1.393268
C -5.061252 1.657997 0.766521
H 1.076085 -1.088030 2.168802
H 3.553921 -1.571291 -1.370373
H 2.674153 0.718412 3.034481
H 5.149106 0.228274 -0.494387
H -0.204596 -2.231606 -2.309296
H -2.237959 -0.776040 -2.561246
H -2.098575 -0.059652 1.108491
H -6.102613 1.919751 -1.134506
H -3.772567 1.211214 2.471564
H -5.799287 2.216143 1.350543


