%chk=000245088.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245088

0 1
O 5.020619 3.170025 0.071851
N -5.798405 -0.225639 -0.155009
N 1.669561 -0.394555 -0.035101
N 3.742192 -2.237410 -0.010838
C -8.323854 -0.277601 0.018512
C -7.043434 0.601278 -0.118956
C -4.574994 0.628218 -0.037135
C -3.332571 -0.277827 -0.047083
C -8.314904 -1.033104 1.360527
C -8.413825 -1.275509 -1.145609
C -9.542429 0.667969 -0.019105
C -2.043998 0.553383 -0.044176
C -0.804207 -0.350107 -0.045609
C 0.480546 0.490791 -0.050270
C 2.960610 0.082713 -0.003881
C 4.056153 -0.888022 0.010125
C 3.261962 1.449677 0.015790
C 5.401832 -0.419495 0.044547
C 4.613172 1.855535 0.049818
C 5.680473 0.963768 0.064920
C 6.441897 -1.412815 0.057051
C 6.117249 -2.742213 0.035962
C 4.733073 -3.121539 0.001603
C 4.013540 4.209107 0.056304
H -7.091471 1.161461 -1.079199
H -7.034411 1.361132 0.691295
H -4.573858 1.272589 0.868320
H -4.552059 1.311406 -0.915366
H -3.349089 -0.960637 0.823670
H -3.365722 -0.933920 -0.941729
H -5.817207 -0.906971 0.612969
H -8.195316 -0.352707 2.208492
H -9.252142 -1.580023 1.510682
H -7.506998 -1.771030 1.403354
H -8.475981 -0.761466 -2.110341
H -9.287559 -1.926237 -1.055372
H -7.521662 -1.913436 -1.191066
H -10.478850 0.104365 0.052403
H -9.530023 1.382769 0.808787
H -9.582255 1.238652 -0.952239
H -2.026714 1.220241 -0.929038
H -2.026341 1.219209 0.840839
H -0.822680 -1.017221 0.839900
H -0.827761 -1.019418 -0.929707
H 0.513675 1.143258 -0.954490
H 0.506430 1.163763 0.838948
H 1.511244 -1.403179 -0.054191
H 2.474037 2.188521 0.004240
H 6.700747 1.328609 0.091200
H 7.478189 -1.078368 0.083210
H 6.878506 -3.518688 0.044400
H 4.459324 -4.181294 -0.015695
H 3.427061 4.155345 -0.865155
H 3.383990 4.140642 0.947819
H 4.629438 5.117704 0.078223


%chk=000245088-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245088

0 1
O 5.188862 3.207052 -0.153085
N -5.834957 -0.172625 0.168573
N 1.695212 -0.292349 0.021791
N 3.623685 -2.182145 0.110239
C -8.358495 -0.343324 -0.028808
C -7.110505 0.574782 0.143356
C -4.618070 0.663534 0.089060
C -3.347732 -0.209604 0.091066
C -8.411370 -1.398736 1.109172
C -8.296869 -1.058742 -1.402131
C -9.624197 0.549259 0.046527
C -2.046041 0.620103 0.033419
C -0.777169 -0.259745 0.043911
C 0.518721 0.572641 -0.009863
C 2.998441 0.150759 -0.001803
C 4.037587 -0.866145 0.046792
C 3.369230 1.512033 -0.068421
C 5.426701 -0.467865 0.028630
C 4.752119 1.871830 -0.086204
C 5.774274 0.911425 -0.038207
C 6.393163 -1.529895 0.081052
C 5.967684 -2.859163 0.145090
C 4.565816 -3.146005 0.157508
C 4.179637 4.264583 -0.213311
H -7.069608 1.273043 -0.717161
H -7.258508 1.204659 1.059182
H -4.548266 1.412921 0.920748
H -4.663715 1.244631 -0.854050
H -3.337431 -0.838985 1.006794
H -3.396705 -0.905235 -0.768930
H -5.788349 -0.806005 0.979144
H -8.367237 -0.917640 2.106043
H -9.353736 -1.975465 1.056652
H -7.579698 -2.123863 1.030507
H -8.381455 -0.329175 -2.230401
H -9.121590 -1.789067 -1.506095
H -7.333389 -1.586873 -1.510749
H -10.536788 -0.054274 -0.115755
H -9.712110 1.040487 1.034735
H -9.599400 1.339733 -0.727878
H -2.051838 1.248626 -0.881318
H -2.015934 1.319479 0.894854
H -0.769216 -0.885443 0.959654
H -0.801027 -0.954486 -0.819879
H 0.520262 1.194176 -0.933291
H 0.537840 1.279969 0.849439
H 1.597810 -1.313206 0.068543
H 2.595046 2.281855 -0.107105
H 6.818730 1.235372 -0.053584
H 7.460957 -1.282271 0.070021
H 6.687726 -3.682824 0.185778
H 4.208161 -4.180860 0.207107
H 3.546391 4.170871 -1.117171
H 3.539341 4.267432 0.690427
H 4.752809 5.202458 -0.261216


