%chk=000180783.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180783

0 1
S 3.284795 -0.508669 -0.054995
F 1.474402 0.624884 -1.599520
F 2.258384 -1.171110 -2.371786
F 1.108323 -2.493998 -0.019174
F -0.126657 -1.928652 -1.627068
F 0.500755 0.068842 1.225408
F -0.948526 -1.454495 1.147910
F -1.654250 1.339764 0.601034
F -0.672393 1.140292 -1.243790
F -3.167483 0.660192 -1.765964
F -2.230636 -1.217588 -1.779810
F -3.113521 -1.789958 0.783650
F -4.624604 -1.436584 -0.633078
F -3.407595 0.787807 1.841778
F -5.087802 -0.474728 1.944348
F -6.058776 1.915477 1.330343
F -4.552880 2.363327 -0.089813
F -6.049649 0.928982 -0.545184
O 2.744147 0.149017 1.104319
O 3.814559 -1.840817 0.009232
N 4.341705 0.514115 -0.910511
C 1.838947 -0.614855 -1.217758
C 4.622954 1.843729 -0.301975
C 5.470375 -0.145994 -1.628582
C 0.631154 -1.394359 -0.645170
C 5.235896 1.814058 1.105944
C 6.874336 0.065283 -1.040900
C -0.281147 -0.593586 0.347678
C 6.693483 1.349786 1.152235
C 6.940215 -0.010869 0.488156
C -1.300461 0.400563 -0.303451
C -2.591334 -0.230359 -0.929277
C -3.666971 -0.786874 0.065203
C -4.346386 0.221210 1.052898
C -5.243240 1.345898 0.435882
H 3.655325 2.400848 -0.271595
H 5.287709 2.405570 -0.997365
H 5.447313 0.257582 -2.670675
H 5.272934 -1.242591 -1.711816
H 4.614629 1.194783 1.789861
H 5.169048 2.836069 1.535185
H 7.281094 1.038111 -1.382322
H 7.547418 -0.701913 -1.476549
H 7.015484 1.297875 2.212927
H 7.344168 2.114662 0.683424
H 7.941641 -0.380136 0.789485
H 6.228919 -0.768691 0.871727


%chk=000180783-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180783

0 1
S 3.556686 -0.734812 0.569384
F 1.383824 1.013818 0.053372
F 1.971722 -0.306324 -1.711100
F 0.956794 -2.053506 1.141510
F 0.323000 -2.195412 -1.045292
F -0.692612 0.096980 1.588901
F -1.693890 -1.780977 0.793313
F -1.933951 1.437740 -0.177771
F -0.715388 0.353134 -1.753515
F -3.293414 0.479828 -2.341412
F -2.524847 -1.640795 -2.006199
F -4.137721 -2.140176 -0.061640
F -5.304568 -0.830827 -1.502245
F -3.641394 0.273999 1.533032
F -5.705636 -0.684816 1.383636
F -5.539643 2.190039 1.518008
F -4.622422 2.182087 -0.558338
F -6.675427 1.276372 -0.215919
O 3.378645 -0.308281 2.121756
O 3.915029 -2.230883 0.058189
N 4.618555 0.439929 -0.230005
C 1.686274 -0.303457 -0.342297
C 4.925964 1.681186 0.518395
C 5.285310 0.018413 -1.485123
C 0.535781 -1.293082 0.019472
C 6.151767 1.548616 1.452475
C 6.751964 0.504127 -1.573652
C -0.867474 -0.685614 0.435861
C 7.512509 1.409495 0.734398
C 7.609253 0.263412 -0.305460
C -1.623276 0.160247 -0.674157
C -2.923722 -0.456491 -1.346461
C -4.258947 -0.824956 -0.542482
C -4.744367 0.059945 0.670885
C -5.407489 1.449480 0.341178
H 4.039462 1.957150 1.116874
H 5.074255 2.478474 -0.235647
H 4.716664 0.397070 -2.357412
H 5.259267 -1.086627 -1.516286
H 5.975204 0.685813 2.122539
H 6.176548 2.448358 2.100207
H 6.776798 1.581474 -1.830908
H 7.191867 -0.028655 -2.439613
H 8.294672 1.262116 1.504977
H 7.757521 2.364576 0.223859
H 8.669032 0.165506 -0.610395
H 7.327618 -0.701792 0.161608


