%chk=000258935.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258935

0 1
S -0.516995 -3.893469 -0.061067
P -0.171606 -2.031706 0.000703
O 1.460883 -1.801493 0.108877
N -0.894721 -1.076813 1.295294
N -0.726797 -1.013740 -1.326520
C -1.656669 -0.034922 0.673245
C -1.564025 0.000058 -0.759105
C -2.404795 0.924046 1.351775
C -2.221220 0.993406 -1.481153
C -3.057666 1.919774 0.610122
C -2.967261 1.953903 -0.782216
C 1.950084 -0.485929 0.081856
C 2.046258 0.233880 1.278269
C 2.445286 -0.004007 -1.136169
C 2.663431 1.487137 1.240419
C 3.058865 1.250881 -1.144374
C 3.166559 1.994492 0.036927
H -1.310145 -1.523114 2.125757
H -1.019986 -1.410429 -2.230226
H -2.476824 0.906443 2.436929
H -2.151766 1.029361 -2.566031
H -3.641898 2.675327 1.134239
H -3.481033 2.736201 -1.339931
H 1.651879 -0.174927 2.206511
H 2.354127 -0.599284 -2.041822
H 2.752561 2.070664 2.156291
H 3.455037 1.650987 -2.077164
H 3.644536 2.972074 0.019264


%chk=000258935-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258935

0 1
S -0.497546 -4.202067 -0.035633
P -0.267791 -2.165839 0.001994
O 1.500311 -1.848792 0.108812
N -1.075072 -1.172603 1.198816
N -0.910554 -1.120429 -1.248871
C -1.749030 -0.048797 0.663914
C -1.651885 -0.017966 -0.761757
C -2.457911 0.949107 1.357514
C -2.261692 1.012046 -1.501160
C -3.074209 1.983449 0.610241
C -2.976780 2.014772 -0.800358
C 2.009699 -0.521094 0.084603
C 2.115524 0.217301 1.286118
C 2.479093 0.009215 -1.139228
C 2.697825 1.503900 1.255908
C 3.062046 1.295727 -1.156685
C 3.168768 2.047400 0.037465
H -1.125018 -1.432682 2.181521
H -0.803262 -1.319312 -2.241042
H -2.533604 0.926831 2.449921
H -2.187259 1.038187 -2.593519
H -3.630985 2.766428 1.135442
H -3.457935 2.822291 -1.361883
H 1.763736 -0.225080 2.223410
H 2.406697 -0.596538 -2.048152
H 2.787517 2.079287 2.183926
H 3.435491 1.708745 -2.100283
H 3.619925 3.045317 0.019664


