%chk=000294476.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294476

0 1
S 0.010392 0.450011 -0.859469
S 0.779969 -0.486196 1.861652
S -0.884000 0.724378 1.967152
F 6.644592 -1.584772 -0.539046
F 5.374415 -1.141110 -2.184718
F 7.137230 -0.011545 -1.868463
F -6.594166 -1.576092 -0.016507
F -7.046168 -0.679630 -1.881243
F -5.250496 -1.777859 -1.651374
O 5.764058 1.642040 -0.412405
O -5.776070 1.464448 -1.153828
N 4.333140 0.096821 0.484085
N -4.368535 0.455332 0.342763
C 1.431374 0.126086 0.266658
C -1.460640 0.500526 0.247124
C 2.252194 -0.997761 -0.347125
C 2.209952 1.416025 0.446721
C -2.230247 -0.798561 0.087188
C -2.269040 1.733892 -0.122287
C 3.591261 -1.186452 0.391589
C 3.549611 1.175327 1.162419
C -3.595651 -0.730333 0.795768
C -3.644430 1.743597 0.567608
C 5.352746 0.501143 -0.368265
C -5.349065 0.450402 -0.641166
C 6.108260 -0.564654 -1.221524
C -6.041695 -0.893018 -1.027371
H 2.451449 -0.781672 -1.422220
H 1.692825 -1.959108 -0.356047
H 1.624642 2.176810 1.008219
H 2.403837 1.890605 -0.543266
H -1.656192 -1.667971 0.476041
H -2.381026 -1.024925 -0.992932
H -2.418066 1.777669 -1.226925
H -1.724519 2.672963 0.120514
H 3.420217 -1.546999 1.436164
H 4.187209 -1.983588 -0.096264
H 4.149968 2.117551 1.183432
H 3.393598 0.868404 2.221877
H -4.153122 -1.676436 0.649374
H -3.459100 -0.636266 1.902149
H -3.549254 1.892834 1.666984
H -4.260859 2.592485 0.180564


%chk=000294476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294476

0 1
S 0.017758 0.517789 -1.138803
S 0.749075 -0.702729 1.630595
S -0.871926 0.861160 1.823054
F 6.665646 -1.761855 -0.119516
F 5.748856 -0.946640 -2.044391
F 7.672540 -0.073144 -1.235336
F -6.532674 -1.615216 0.650003
F -7.572091 -0.816927 -1.191584
F -5.544162 -1.796960 -1.398929
O 6.153800 1.621018 0.181850
O -6.266315 1.490630 -0.800965
N 4.379753 0.107312 0.405461
N -4.423942 0.467284 0.223429
C 1.472783 0.107940 0.050243
C -1.502566 0.562258 0.037243
C 2.377778 -0.940617 -0.639831
C 2.250366 1.394983 0.389039
C -2.280919 -0.764258 -0.065273
C -2.383472 1.772765 -0.356124
C 3.687845 -1.178628 0.154081
C 3.558730 1.092376 1.154382
C -3.631638 -0.699245 0.686241
C -3.734425 1.767624 0.400342
C 5.628299 0.493524 -0.030792
C -5.657769 0.463986 -0.389555
C 6.432380 -0.562934 -0.850872
C -6.330250 -0.931086 -0.581446
H 2.636343 -0.571042 -1.650276
H 1.833540 -1.893839 -0.763298
H 1.613217 2.072038 0.985826
H 2.490635 1.914928 -0.557943
H -1.667058 -1.589702 0.337622
H -2.466378 -0.978402 -1.135145
H -2.581996 1.721306 -1.443445
H -1.844574 2.717197 -0.162586
H 3.461284 -1.642799 1.134637
H 4.330952 -1.875016 -0.399740
H 4.156535 2.008078 1.283297
H 3.328095 0.669999 2.151360
H -4.183998 -1.636121 0.538693
H -3.449077 -0.579479 1.771830
H -3.574889 1.936281 1.483773
H -4.395495 2.560563 0.016449


