%chk=000241186.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241186

0 1
S 0.036266 0.442018 0.500865
O 4.868436 1.018291 1.374121
N 2.675274 0.683785 0.891084
N 1.983535 -0.782653 -0.881596
C -2.340480 -0.211308 -0.367758
C -0.923775 -0.537050 -0.701306
C -2.981073 0.871311 -0.992210
C -3.040182 -0.986585 0.571223
C 1.711243 0.061404 0.112755
C -4.309541 1.171016 -0.680371
C -4.368473 -0.681039 0.878172
C -5.005013 0.396561 0.253847
C 4.095794 0.433229 0.647707
C 4.348323 -0.489168 -0.440632
C 3.325976 -1.051983 -1.150248
H -0.684082 -1.616497 -0.603505
H -0.640536 -0.264313 -1.739378
H -2.444315 1.479769 -1.719098
H -2.549512 -1.825905 1.062635
H -4.803903 2.011085 -1.166732
H -4.908742 -1.284514 1.606584
H -6.040279 0.632288 0.494808
H 2.424410 1.328399 1.648880
H 5.396257 -0.700150 -0.651245
H 3.488892 -1.753188 -1.978701


%chk=000241186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241186

0 1
S 0.124513 0.600524 0.696588
O 5.136287 0.923163 1.316657
N 2.846193 0.654456 0.886946
N 1.978812 -0.730061 -0.850634
C -2.381478 -0.162303 -0.307510
C -0.913788 -0.420945 -0.553073
C -3.053705 0.884581 -0.990261
C -3.112200 -0.968143 0.603960
C 1.798259 0.107690 0.169255
C -4.429393 1.118398 -0.770469
C -4.487857 -0.736055 0.825346
C -5.150056 0.308326 0.138261
C 4.239770 0.379854 0.609772
C 4.406658 -0.538370 -0.511150
C 3.298247 -1.040552 -1.174837
H -0.625932 -1.470279 -0.394326
H -0.576943 -0.105886 -1.551080
H -2.497312 1.514262 -1.695195
H -2.600588 -1.778010 1.138208
H -4.937938 1.927214 -1.306834
H -5.041708 -1.367998 1.528439
H -6.217536 0.488194 0.308177
H 2.674168 1.296074 1.670444
H 5.424361 -0.808941 -0.799759
H 3.413665 -1.730388 -2.017024


