%chk=000196898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196898

0 1
I 4.023608 3.528880 -2.905994
O 2.080112 -2.838196 2.219941
N -0.047907 -1.410876 0.218996
C 1.355325 -1.912080 0.096056
C -2.597577 -0.159411 -0.516247
C -0.969902 -2.089600 -0.750981
C -0.156186 0.081023 0.107926
C 2.063353 -1.617055 1.452918
C -2.422350 -1.689754 -0.445698
C -1.592048 0.516771 0.437250
C 2.142970 -1.400676 -1.135019
C 3.546220 -1.244829 1.316752
C 2.971645 -0.181520 -0.862814
C 3.699234 -0.114830 0.347045
C -4.018479 0.240645 -0.181751
C 3.065487 0.862215 -1.790256
C 4.518477 0.986213 0.610228
C -4.791550 0.917571 -1.137550
C -4.579508 -0.053052 1.070903
C 3.888013 1.950339 -1.501676
C 4.618634 2.028604 -0.321125
C -6.105316 1.293911 -0.843912
C -5.892819 0.324365 1.361197
C -6.659407 0.998514 0.405090
H 1.297965 -3.034110 0.007249
H -2.360774 0.169813 -1.560248
H -0.856903 -3.188473 -0.624962
H -0.725705 -1.857495 -1.810062
H 0.137403 0.460335 -0.895011
H 0.550669 0.537122 0.835587
H 1.515411 -0.846002 2.041576
H -3.107364 -2.186910 -1.156250
H -2.701023 -2.056022 0.562442
H -1.828405 0.253950 1.487166
H -1.677122 1.616625 0.366760
H 1.447142 -1.233836 -1.981166
H 2.826574 -2.209374 -1.479031
H 4.122697 -2.133656 0.974711
H 3.960754 -1.008582 2.317033
H 1.167821 -3.072971 2.490265
H 2.505240 0.819360 -2.724694
H 5.083786 1.040604 1.539818
H -4.370632 1.153721 -2.112879
H -3.989056 -0.576868 1.820986
H 5.261663 2.884137 -0.110648
H -6.697811 1.819096 -1.591107
H -6.320328 0.092938 2.335307
H -7.681629 1.291829 0.632680


%chk=000196898-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196898

0 1
I 6.934433 1.183710 -3.531236
O 1.126346 -1.189315 2.451755
N -0.174439 -0.592280 0.129360
C 1.313935 -0.677698 0.061210
C -3.041552 -0.111071 -0.424789
C -0.883967 -1.397650 -0.898721
C -0.740815 0.779992 0.233171
C 1.896601 -0.424280 1.476379
C -2.384597 -1.513199 -0.565402
C -2.234865 0.722591 0.609865
C 2.026136 0.241957 -0.960431
C 3.364499 -0.866479 1.522858
C 3.546748 0.141992 -0.843455
C 4.174761 -0.342820 0.340006
C -4.526904 -0.198071 -0.081447
C 4.346179 0.572306 -1.934087
C 5.590603 -0.367122 0.397997
C -5.506601 0.311506 -0.971133
C -4.965822 -0.795826 1.130368
C 5.750146 0.528775 -1.849121
C 6.391766 0.061215 -0.681973
C -6.884548 0.228771 -0.664984
C -6.340331 -0.880815 1.441277
C -7.306983 -0.368658 0.544034
H 1.541725 -1.734077 -0.190794
H -2.947097 0.400118 -1.407005
H -0.425505 -2.403229 -0.929384
H -0.771104 -0.947028 -1.917189
H -0.634078 1.336178 -0.730875
H -0.180961 1.340666 1.003287
H 1.830453 0.664461 1.706327
H -2.896834 -2.092731 -1.356782
H -2.501043 -2.072451 0.382593
H -2.337142 0.271122 1.615196
H -2.641734 1.750101 0.666131
H 1.724963 1.294314 -0.780859
H 1.711156 -0.004205 -1.992204
H 3.374879 -1.975408 1.528188
H 3.822170 -0.548404 2.477481
H 0.211028 -1.238516 2.033658
H 3.858824 0.940268 -2.843220
H 6.082096 -0.731617 1.308275
H -5.186024 0.776555 -1.912135
H -4.230494 -1.199368 1.837368
H 7.482569 0.030072 -0.611629
H -7.625083 0.628735 -1.367109
H -6.659170 -1.345861 2.381196
H -8.373919 -0.434827 0.784784


