%chk=000216979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216979

0 1
I 0.844065 -0.032812 3.002846
I -0.717548 -1.009182 -2.942098
I 4.641586 0.896132 -1.641850
O -3.300571 -0.824259 0.620907
O 3.149049 0.646060 1.665392
O -4.557497 3.839145 -0.646209
O -2.353775 4.013376 -0.307333
N -1.052804 -1.059911 0.407582
C -1.093338 -2.446154 0.972026
C -1.078456 -3.507641 -0.136660
C 0.230714 -0.567005 -0.009813
C -2.245779 -0.307311 0.303904
C -2.101064 1.131932 -0.140675
C 1.166161 -0.144132 0.933407
C -3.464065 1.819657 -0.150864
C 0.587135 -0.495571 -1.377601
C -1.141699 -4.909152 0.461791
C 2.459142 0.302701 0.547441
C 1.852923 -0.061376 -1.758551
C 2.805730 0.330824 -0.808845
C -3.323416 3.294716 -0.359467
C 4.500812 1.179446 1.604310
H -0.233888 -2.581796 1.665752
H -2.026383 -2.536079 1.580680
H -1.936620 -3.346819 -0.821964
H -0.171256 -3.401379 -0.763613
H -1.635727 1.190523 -1.152105
H -1.398736 1.675851 0.535152
H -4.129189 1.374122 -0.927709
H -4.013056 1.623677 0.803602
H -2.057907 -5.060125 1.045621
H -1.131624 -5.671568 -0.326408
H -0.290830 -5.111671 1.122068
H 2.113620 -0.026188 -2.827652
H 5.189046 0.429388 1.204195
H 4.693075 1.359963 2.671701
H 4.518662 2.117117 1.041176
H -4.521491 4.823301 -0.780235


%chk=000216979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216979

0 1
I 1.015304 -0.315432 2.845124
I -0.598335 -1.235712 -3.086543
I 4.981467 0.784414 -1.706880
O -3.005465 -0.858486 0.885530
O 3.701384 0.523272 1.287414
O -4.207815 3.871315 -0.553114
O -2.116340 3.919380 0.449202
N -0.800781 -1.219813 0.264693
C -0.880789 -2.616285 0.798933
C -1.584709 -3.617617 -0.142376
C 0.467814 -0.724080 -0.188227
C -1.928880 -0.396309 0.401533
C -1.774773 1.071261 -0.008544
C 1.451949 -0.284865 0.747657
C -3.145488 1.749108 -0.161969
C 0.812979 -0.671025 -1.569483
C -1.715726 -4.999353 0.534208
C 2.734813 0.174102 0.341440
C 2.083474 -0.230502 -1.998225
C 3.037261 0.181143 -1.045901
C -3.055166 3.254279 -0.045593
C 3.751398 1.959357 1.667746
H 0.150576 -2.949965 1.014586
H -1.436095 -2.569856 1.753881
H -2.585568 -3.222804 -0.392451
H -1.019015 -3.709094 -1.087718
H -1.187284 1.162478 -0.938552
H -1.193860 1.596113 0.776463
H -3.632345 1.487436 -1.117209
H -3.825487 1.373326 0.628533
H -2.311052 -4.931420 1.463957
H -2.219286 -5.719191 -0.135438
H -0.725145 -5.418615 0.794914
H 2.328481 -0.212839 -3.061925
H 4.559445 2.026820 2.409978
H 2.793331 2.274550 2.119465
H 3.988700 2.586541 0.789443
H -4.133969 4.856165 -0.424650


