%chk=000252278.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252278

0 1
S 0.880892 0.067800 -0.715430
S -0.421691 2.425752 0.680837
O 0.527705 -4.250294 0.704266
O -3.455282 -0.245891 -0.647943
N -0.001097 -2.914907 -1.126387
N -3.324801 1.488371 0.907037
N 1.671027 -4.632450 -1.250695
N -3.476816 -0.812945 1.575207
C 1.165523 1.672352 0.116680
C 1.806673 2.569855 -0.932793
C 1.986983 1.524391 1.388180
C 3.264010 2.170263 -1.217136
C 3.435137 1.114452 1.074030
C 4.083677 2.082955 0.076800
C 0.049161 -0.994427 0.505538
C -1.569206 2.291942 -0.722423
C -0.797630 -1.995281 -0.275370
C -2.977238 2.464158 -0.159762
C 0.715834 -3.941215 -0.463539
C -3.416847 0.126925 0.516248
H 1.228140 2.567921 -1.878923
H 1.787123 3.624234 -0.577685
H 2.003261 2.487820 1.945907
H 1.534272 0.790254 2.084309
H 3.296666 1.197300 -1.747236
H 3.719662 2.906258 -1.906002
H 4.021597 1.083236 2.011342
H 3.456769 0.083647 0.665545
H 4.178607 3.087147 0.532421
H 5.114105 1.752035 -0.152588
H -0.587968 -0.401160 1.190033
H 0.804942 -1.510113 1.131620
H -1.468158 1.304231 -1.227872
H -1.342203 3.063203 -1.479596
H -1.544637 -1.480948 -0.934173
H -1.388751 -2.610068 0.450421
H -3.715814 2.344013 -0.993207
H -3.128321 3.484676 0.261947
H 0.430549 -2.469149 -1.938169
H -2.874167 1.687361 1.805913
H 1.590226 -4.645487 -2.254939
H 2.008125 -5.504864 -0.859673
H -3.777218 -0.525134 2.494491
H -3.802822 -1.739821 1.319469


%chk=000252278-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252278

0 1
S 1.045053 0.060740 -0.622943
S -0.307123 2.407105 1.026197
O 0.605567 -4.555393 0.981255
O -4.672997 0.357337 -1.138890
N -0.043036 -2.990416 -0.633014
N -3.204096 1.028946 0.562175
N 1.024268 -4.992948 -1.272655
N -4.227563 -1.090582 0.634777
C 1.322707 1.752059 0.234491
C 1.817439 2.726443 -0.861658
C 2.337930 1.650185 1.397414
C 3.254198 2.401903 -1.345728
C 3.767283 1.319646 0.903553
C 4.245012 2.335382 -0.160419
C 0.471347 -1.005963 0.836277
C -1.455123 2.486442 -0.486632
C -0.560488 -2.048581 0.365546
C -2.922893 2.331892 -0.045826
C 0.534619 -4.196977 -0.236189
C -4.069619 0.119919 -0.046274
H 1.115060 2.727469 -1.716300
H 1.798839 3.744093 -0.423003
H 2.348558 2.631355 1.916563
H 2.000165 0.900757 2.136750
H 3.256332 1.433756 -1.881998
H 3.570211 3.176765 -2.070607
H 4.454079 1.315884 1.771646
H 3.777226 0.300300 0.471418
H 4.333010 3.340169 0.303527
H 5.253709 2.059752 -0.523083
H 0.005703 -0.310856 1.560081
H 1.347134 -1.498805 1.287411
H -1.155923 1.655191 -1.149951
H -1.304144 3.456243 -0.989477
H -1.453514 -1.542986 -0.044176
H -0.863222 -2.649919 1.242859
H -3.577440 2.407825 -0.933131
H -3.200090 3.148521 0.650118
H -0.027485 -2.696875 -1.609992
H -2.641821 0.764216 1.373402
H 0.952513 -4.750586 -2.258170
H 1.445952 -5.878985 -1.008279
H -3.847567 -1.272871 1.561282
H -4.859771 -1.769153 0.218353


