%chk=000242289.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242289

0 1
O 2.262433 -1.372497 -1.836980
O -5.408208 1.004033 0.813519
O -4.346167 -1.008555 0.525762
N 5.013221 0.113150 -0.249979
N 2.266173 -0.472588 0.288922
N -3.178857 1.039684 0.689909
C 4.399446 -1.150056 -0.761875
C 5.092824 1.135508 -1.350065
C 6.357905 -0.145958 0.365174
C 0.872094 -0.109314 0.343913
C 0.520268 1.248208 0.538714
C -0.131091 -1.102418 0.240552
C 2.876419 -0.988275 -0.855767
C -1.819407 0.609916 0.564240
C -0.825817 1.603783 0.659977
C -1.477505 -0.730343 0.354088
C 5.308956 2.527505 -0.757023
C 6.194762 -0.849438 1.712599
C 1.571368 2.307116 0.628220
C 0.215208 -2.531518 0.003957
C -4.292892 0.193686 0.654335
C -6.711150 0.337439 0.766467
C -7.079222 0.046484 -0.685249
C -8.526887 -0.415209 -0.798168
H 4.775504 -1.467713 -1.760617
H 4.622212 -1.992858 -0.067809
H 4.128347 1.120733 -1.908849
H 5.887131 0.906644 -2.093048
H 6.855846 0.837814 0.525416
H 7.027651 -0.735045 -0.297915
H 2.861326 -0.033983 0.999906
H -1.094345 2.644158 0.818903
H -2.258027 -1.495055 0.274209
H 5.175828 3.301442 -1.521178
H 6.314281 2.645013 -0.336035
H 4.596807 2.729298 0.054039
H 7.156411 -0.928750 2.231376
H 5.791254 -1.863044 1.604336
H 5.506972 -0.297297 2.366483
H 1.156408 3.319710 0.538679
H 2.323955 2.200720 -0.169829
H 2.103315 2.260753 1.589403
H -0.649626 -3.202034 0.077460
H 0.978159 -2.891081 0.707326
H 0.639018 -2.651039 -1.015040
H -3.350591 2.042582 0.812163
H -7.348546 1.108254 1.236180
H -6.669910 -0.573273 1.388769
H -6.394390 -0.728595 -1.092929
H -6.909532 0.950435 -1.304085
H -8.785989 -0.636501 -1.841317
H -9.229960 0.347352 -0.443808
H -8.707687 -1.330484 -0.221128


%chk=000242289-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242289

0 1
O 2.349873 -1.576097 -2.114813
O -5.401651 1.039797 0.773710
O -4.294581 -1.041970 0.629437
N 5.035997 0.052636 -0.177035
N 2.343197 -0.196372 -0.192804
N -3.162862 1.041428 0.502824
C 4.474938 -1.057830 -0.993716
C 5.356131 1.230964 -1.042669
C 6.176458 -0.371690 0.688938
C 0.945045 0.070391 -0.024602
C 0.523631 1.430426 0.073869
C -0.002168 -0.989785 0.085372
C 2.941635 -0.965005 -1.176218
C -1.800208 0.667944 0.335854
C -0.844397 1.712378 0.256427
C -1.371738 -0.677493 0.255606
C 5.538480 2.545435 -0.263006
C 5.732608 -1.234349 1.884780
C 1.528509 2.563929 -0.023327
C 0.423832 -2.442561 0.055972
C -4.264977 0.214342 0.627129
C -6.702267 0.324479 0.878724
C -7.283889 0.014599 -0.507752
C -8.674668 -0.648364 -0.393384
H 4.922565 -1.120705 -2.008723
H 4.677350 -2.023777 -0.495921
H 4.512241 1.348493 -1.748667
H 6.263376 1.029476 -1.663599
H 6.660114 0.541894 1.076414
H 6.949706 -0.914365 0.092228
H 3.054240 0.289709 0.385179
H -1.170720 2.758326 0.325150
H -2.106852 -1.480793 0.339011
H 5.671077 3.385060 -0.969503
H 6.424213 2.527563 0.396292
H 4.650875 2.753594 0.359951
H 6.605819 -1.496129 2.510146
H 5.259014 -2.180401 1.566038
H 5.006919 -0.684012 2.508944
H 1.020548 3.541663 -0.071716
H 2.163413 2.460614 -0.922792
H 2.207325 2.588733 0.852418
H -0.386510 -3.096975 0.417365
H 1.317642 -2.609089 0.686632
H 0.701275 -2.743899 -0.970551
H -3.374188 2.041006 0.536953
H -7.343686 1.023099 1.442101
H -6.551616 -0.604209 1.459074
H -6.589201 -0.656194 -1.045725
H -7.356304 0.953558 -1.088724
H -9.088261 -0.864255 -1.394319
H -9.393272 0.007614 0.133511
H -8.618335 -1.604329 0.159818


