%chk=000198621.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198621

0 1
I 0.197049 -0.520990 2.325490
I -1.052933 -2.129831 -3.463463
O 0.575815 -1.453992 -1.034261
O 5.140627 1.006959 0.834622
O -6.235352 1.115881 0.104934
O -4.761562 1.166121 1.790832
C 3.102905 2.713683 0.014001
C 2.945326 1.207536 -0.023107
C 2.069088 3.331074 0.963231
C 2.991152 3.299939 -1.398339
C 1.771821 0.598658 -0.466223
C 3.999413 0.362227 0.405020
C 1.683216 -0.801138 -0.450769
C 3.908061 -1.035417 0.396919
C 2.722573 -1.635235 -0.036719
C -0.697306 -1.219469 -0.575806
C -3.426258 -0.934547 -0.001534
C -1.102237 -0.824091 0.705898
C -1.671485 -1.493806 -1.561305
C -2.462326 -0.670268 0.981804
C -3.022075 -1.356293 -1.281169
C -4.887920 -0.800572 0.312986
C -5.220128 0.563495 0.851187
H 4.127382 2.954644 0.410222
H 1.042921 3.177330 0.611398
H 2.223292 4.410172 1.066452
H 2.136220 2.887027 1.963563
H 3.720818 2.840975 -2.075584
H 3.178397 4.379142 -1.391584
H 1.997752 3.142884 -1.831933
H 0.930985 1.197489 -0.815525
H 4.740904 -1.650162 0.725428
H 2.603823 -2.717059 -0.054325
H -2.789959 -0.329200 1.974735
H -3.769446 -1.568992 -2.050908
H -5.184474 -1.565010 1.071703
H -5.519290 -1.019366 -0.581037
H 5.839886 0.367336 1.112599
H -6.501776 2.021265 0.422064


%chk=000198621-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198621

0 1
I -0.306412 -1.517459 3.059423
I -0.214600 -1.896116 -3.090460
O 0.748045 -2.067306 0.015444
O 5.242390 1.346606 0.012210
O -5.520567 1.922222 -0.423756
O -4.844621 1.262399 1.697861
C 2.681041 2.614135 -0.091907
C 2.837221 1.092771 -0.053295
C 2.094682 3.137081 1.248473
C 1.818939 3.078402 -1.294335
C 1.704328 0.242732 -0.049697
C 4.119504 0.485858 0.008431
C 1.854377 -1.155877 0.009829
C 4.263435 -0.921657 0.065963
C 3.127192 -1.753921 0.067278
C -0.559521 -1.565807 -0.029303
C -3.295815 -0.762320 -0.117849
C -1.278281 -1.287132 1.164430
C -1.241990 -1.441441 -1.266515
C -2.628861 -0.887955 1.126495
C -2.594955 -1.043170 -1.314061
C -4.768359 -0.356944 -0.176776
C -5.028030 0.986736 0.492782
H 3.691251 3.044926 -0.209349
H 1.083958 2.724516 1.428233
H 2.015938 4.240183 1.232055
H 2.734652 2.848026 2.101241
H 2.241916 2.721166 -2.250469
H 1.772030 4.182782 -1.327295
H 0.780998 2.702215 -1.221025
H 0.703213 0.684765 -0.093329
H 5.262983 -1.373423 0.111240
H 3.213334 -2.842789 0.112034
H -3.164728 -0.662947 2.052785
H -3.101934 -0.955525 -2.279342
H -5.380083 -1.105856 0.361953
H -5.119297 -0.313793 -1.218498
H 6.079267 0.821610 0.051489
H -5.677740 2.790704 0.039109


