%chk=000286042.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286042

0 1
O 4.511722 -1.443836 -1.437070
N -3.415618 -0.518329 1.901574
N 2.794002 0.057592 0.132473
N 4.112339 0.396822 -0.064915
N 8.428872 0.560825 0.123480
C -5.666687 0.142088 0.019103
C -6.970582 -0.360607 0.687358
C -6.013823 0.828042 -1.328906
C -4.673692 -1.021229 -0.224753
C -4.985902 1.198550 0.933215
C -7.803686 -1.256768 -0.237657
C -6.847687 -0.067664 -2.253292
C -4.081389 -1.574191 1.079514
C -4.385047 0.577964 2.203280
C -8.128346 -0.550024 -1.559907
C -2.089726 -0.142602 1.542057
C -1.538669 1.079657 1.999832
C -1.248322 -1.037939 0.839093
C -0.201426 1.381147 1.771865
C 0.087229 -0.726853 0.614391
C 0.631383 0.486986 1.074511
C 2.039625 0.846922 0.850714
C 4.913620 -0.455015 -0.875953
C 6.325127 0.046378 -0.958322
C 6.868773 0.368170 -2.209194
C 7.140051 0.142641 0.185317
C 8.195815 0.797464 -2.280196
C 8.942661 0.883724 -1.093029
H -7.579455 0.510225 0.996678
H -6.730683 -0.908709 1.617190
H -5.087151 1.136088 -1.847189
H -6.572919 1.762001 -1.127625
H -3.854000 -0.673490 -0.883356
H -5.179592 -1.834976 -0.777494
H -5.708849 1.986177 1.210443
H -4.184394 1.710882 0.365205
H -7.258606 -2.199105 -0.440298
H -8.740056 -1.550500 0.272780
H -7.104648 0.487165 -3.175429
H -6.246664 -0.937499 -2.580851
H -4.879315 -2.024876 1.712198
H -3.358685 -2.392311 0.862539
H -3.888488 1.360070 2.819976
H -5.184045 0.140170 2.843056
H -8.798714 0.310092 -1.370471
H -8.686817 -1.232037 -2.227288
H -2.161507 1.786070 2.546726
H -1.642183 -1.987352 0.477204
H 0.200079 2.325681 2.138839
H 0.725271 -1.431285 0.070814
H 2.362419 1.787624 1.322610
H 4.512663 1.253140 0.335217
H 6.261178 0.276798 -3.112820
H 6.765001 -0.127578 1.181195
H 8.646980 1.054334 -3.236558
H 9.988264 1.216984 -1.098478


%chk=000286042-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286042

0 1
O 4.792439 -1.141276 -1.857672
N -3.380110 -0.354894 1.559092
N 2.964622 0.011878 -0.043736
N 4.304873 0.367263 -0.120024
N 8.510457 1.131779 0.292057
C -5.899302 0.143064 0.009619
C -7.119407 -0.414218 0.812377
C -6.436810 0.810411 -1.293028
C -4.876794 -0.985719 -0.345370
C -5.157271 1.232820 0.844919
C -8.038471 -1.344300 -0.017658
C -7.337302 -0.118619 -2.141061
C -4.083417 -1.470242 0.893196
C -4.342261 0.663311 2.035604
C -8.528544 -0.650704 -1.310752
C -2.022189 -0.080385 1.346750
C -1.347286 0.959941 2.066611
C -1.231922 -0.849471 0.423585
C 0.020846 1.203628 1.876853
C 0.133178 -0.600165 0.244820
C 0.798266 0.434171 0.966302
C 2.217431 0.713660 0.791711
C 5.166089 -0.273184 -1.019732
C 6.603611 0.177938 -0.931274
C 7.430155 -0.029897 -2.065658
C 7.203705 0.742484 0.226570
C 8.781767 0.363577 -2.014890
C 9.275642 0.950053 -0.824934
H -7.720803 0.452051 1.161307
H -6.783420 -0.944304 1.725063
H -5.580621 1.168338 -1.899987
H -7.023218 1.710776 -1.009803
H -4.160020 -0.598242 -1.097483
H -5.390009 -1.850197 -0.806535
H -5.893794 1.969832 1.224534
H -4.457595 1.782077 0.182362
H -7.499746 -2.276779 -0.282161
H -8.904194 -1.651922 0.600886
H -7.705243 0.430378 -3.029328
H -6.744107 -0.973199 -2.524069
H -4.781136 -1.913473 1.632756
H -3.372489 -2.266114 0.624552
H -3.819556 1.480668 2.553376
H -5.019692 0.190698 2.774653
H -9.189652 0.198701 -1.038883
H -9.138190 -1.350687 -1.914213
H -1.886624 1.564467 2.801273
H -1.695382 -1.636237 -0.178110
H 0.502071 2.002915 2.455796
H 0.714754 -1.192592 -0.469364
H 2.636512 1.545498 1.398412
H 4.668422 1.146536 0.449756
H 6.992078 -0.502158 -2.950801
H 6.642659 0.861910 1.162828
H 9.445052 0.221460 -2.873600
H 10.317649 1.280392 -0.748100


