%chk=000243957.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243957

0 1
S -2.488985 -0.967257 -0.065529
O -6.111595 0.357914 -0.589344
O -5.207044 -1.693693 -0.507772
N 2.429594 -0.596260 0.643901
N 0.598424 -1.958398 0.322009
N 1.275017 1.621183 0.532085
N -1.172886 1.355614 0.179804
N -0.148047 3.491238 0.275550
C 4.603750 -0.140958 -0.571335
C 3.838948 -0.192806 0.777652
C 1.336237 0.253066 0.488188
C 3.935895 0.822928 -1.552107
C 4.762498 -1.533808 -1.184733
C 0.187695 -0.616506 0.298795
C 1.920362 -1.932992 0.514285
C -1.061926 0.016142 0.150188
C 0.001320 2.113569 0.350688
C -3.798072 0.277930 -0.218722
C -5.042689 -0.500791 -0.444323
H 5.625981 0.254106 -0.330161
H 4.343969 -0.897269 1.476171
H 3.866905 0.818493 1.254539
H 4.570049 1.008716 -2.425050
H 2.979374 0.433020 -1.922816
H 3.715882 1.791857 -1.084615
H 5.391754 -1.495951 -2.082725
H 5.228820 -2.239160 -0.490258
H 3.798719 -1.954941 -1.496811
H 2.571441 -2.793103 0.588644
H -3.593302 0.995472 -1.047290
H -3.863785 0.924391 0.686270
H 0.615596 4.075988 0.583028
H -1.076884 3.880266 0.344227
H -6.969315 -0.122601 -0.743835


%chk=000243957-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243957

0 1
S -2.555635 -1.151267 -0.099202
O -6.161721 0.661722 -0.472190
O -5.528834 -1.575808 -0.452803
N 2.417283 -0.618544 0.554307
N 0.627864 -2.047095 0.289325
N 1.221338 1.546061 0.479498
N -1.205239 1.246157 0.160070
N -0.250306 3.373540 0.373114
C 4.658038 -0.088776 -0.543916
C 3.800769 -0.145191 0.752522
C 1.286175 0.190776 0.432508
C 4.030989 0.842307 -1.606425
C 4.942936 -1.493388 -1.124786
C 0.186179 -0.710721 0.265717
C 1.955527 -1.948852 0.464288
C -1.087277 -0.104336 0.124835
C -0.061609 2.009408 0.338151
C -3.836034 0.226192 -0.206960
C -5.213934 -0.371119 -0.387080
H 5.625994 0.351879 -0.222416
H 4.286234 -0.805616 1.495514
H 3.723218 0.867407 1.187572
H 4.715948 0.967637 -2.464709
H 3.083697 0.420416 -1.989669
H 3.805326 1.839530 -1.188389
H 5.634933 -1.423333 -1.983480
H 5.404701 -2.161568 -0.372899
H 4.013809 -1.970066 -1.488469
H 2.633821 -2.795209 0.547350
H -3.590534 0.892461 -1.048922
H -3.795230 0.837284 0.708516
H 0.552258 3.982639 0.502389
H -1.189592 3.746537 0.273303
H -7.067390 0.264338 -0.588064


