%chk=000198991.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198991

0 1
O -5.250205 0.799378 1.520703
O -6.157050 1.254326 -0.625100
O 5.159797 1.952560 -1.556935
N -0.477349 -1.256497 0.576309
N 2.150426 -0.274825 1.348752
N 3.583534 0.851198 -0.201387
N 4.146461 -1.386266 0.626199
C 0.057808 0.023097 0.002838
C 0.642041 -2.216782 0.859525
C 1.040659 0.661214 1.004422
C 1.623442 -1.573725 1.860343
C -1.472877 -1.886341 -0.354678
C -2.708480 -1.025032 -0.475134
C 3.297405 -0.287256 0.545887
C -3.321288 -0.538740 0.710988
C -3.241880 -0.750873 -1.735363
C -4.462062 0.208512 0.540712
C -5.007085 0.482665 -0.749875
C -4.418754 0.016689 -1.902724
C -6.342799 1.471314 0.811886
C 4.796346 0.872018 -0.821210
C 5.338400 -1.303193 -0.019043
C 5.728081 -0.188273 -0.763643
C 4.225403 3.072318 -1.625626
H 0.553320 -0.111673 -0.982492
H -0.801314 0.712562 -0.157408
H 0.206549 -3.132275 1.315463
H 1.190647 -2.535669 -0.053256
H 1.444757 1.615052 0.597064
H 0.517382 0.907007 1.957793
H 1.107714 -1.355767 2.824272
H 2.460240 -2.274321 2.085859
H -1.775069 -2.868784 0.083159
H -1.046173 -2.110099 -1.357946
H -2.887965 -0.744581 1.688946
H -2.751675 -1.132609 -2.630033
H -4.827636 0.222029 -2.887246
H -6.256413 2.548588 1.004120
H -7.283262 0.988160 1.107257
H 5.990002 -2.182341 0.073612
H 6.680187 -0.123406 -1.274027
H 4.042697 3.465939 -0.620801
H 3.291830 2.747479 -2.094388
H 4.779908 3.779223 -2.252291


%chk=000198991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198991

0 1
O -5.010519 1.192852 1.671527
O -6.418393 1.252381 -0.276897
O 5.555176 2.202350 -1.087521
N -0.555495 -1.369642 0.232813
N 2.118448 -0.470670 0.736146
N 3.818149 0.881681 -0.185858
N 4.337982 -1.267678 0.864670
C -0.006856 -0.196201 -0.493898
C 0.517729 -2.343663 0.554791
C 1.078697 0.499318 0.349750
C 1.610677 -1.677879 1.413456
C -1.702522 -1.995886 -0.466517
C -2.947777 -1.113518 -0.480670
C 3.458188 -0.283985 0.465899
C -3.295160 -0.373519 0.688879
C -3.778599 -1.066571 -1.625698
C -4.469552 0.375581 0.645019
C -5.297916 0.411225 -0.497948
C -4.979283 -0.301616 -1.654545
C -6.274383 1.747903 1.118859
C 5.132629 1.055697 -0.436477
C 5.654543 -1.039022 0.586511
C 6.130352 0.113018 -0.066461
C 4.513900 3.179017 -1.468583
H 0.431181 -0.498097 -1.479386
H -0.829033 0.514569 -0.690502
H 0.075989 -3.185241 1.120597
H 0.989402 -2.760221 -0.371430
H 1.556574 1.315245 -0.212550
H 0.610965 0.915330 1.265425
H 1.174349 -1.388565 2.391218
H 2.458639 -2.358441 1.582139
H -1.929018 -2.938981 0.071594
H -1.449025 -2.284601 -1.518450
H -2.642171 -0.396672 1.565041
H -3.492496 -1.634032 -2.518708
H -5.618452 -0.266207 -2.540293
H -6.207020 2.849320 1.102968
H -7.123259 1.378562 1.720806
H 6.348740 -1.824062 0.906396
H 7.185243 0.284065 -0.280936
H 3.978261 3.545011 -0.576073
H 3.786906 2.721961 -2.161577
H 5.069911 3.991886 -1.958023


