%chk=000218328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218328

0 1
O 0.025064 0.010159 2.004316
N -2.220659 -0.007916 -0.558100
C -3.444667 0.136612 0.312921
C -4.431971 0.940109 -0.583202
C -2.637438 0.043558 -1.998576
C -4.090207 0.557588 -2.030905
C -1.312166 -1.139870 -0.238229
C -3.041981 0.922129 1.566428
C -4.083475 -1.208371 0.714547
C 0.146676 -0.616193 -0.318361
C 1.119593 -1.768360 -0.363367
C 0.434943 0.274708 0.895284
C 1.804728 -2.055240 -1.553499
C 1.335774 -2.566049 0.771284
C 1.256496 1.497724 0.627574
C 2.696609 -3.130411 -1.605528
C 2.228626 -3.638076 0.713869
C 2.463717 1.409419 -0.078407
C 0.810082 2.735267 1.109741
C 2.910646 -3.923141 -0.473977
C 3.220976 2.561819 -0.303630
C 1.565887 3.887286 0.872293
C 2.770504 3.800360 0.167400
H -4.294346 2.024664 -0.428067
H -5.480434 0.721511 -0.334503
H -2.545998 -0.931464 -2.515466
H -1.950009 0.751504 -2.507169
H -4.775638 -0.221701 -2.404841
H -4.196601 1.419797 -2.708936
H -1.431838 -2.006820 -0.921772
H -1.499249 -1.517800 0.794538
H -2.611991 1.895478 1.303160
H -2.267010 0.391886 2.141657
H -3.895059 1.090927 2.227482
H -4.327227 -1.813545 -0.163569
H -5.009026 -1.052727 1.277230
H -3.419051 -1.797996 1.355774
H 0.241093 0.007126 -1.245569
H 1.641578 -1.446022 -2.440320
H 0.808120 -2.339313 1.701064
H 3.225496 -3.350374 -2.531447
H 2.394283 -4.252534 1.597803
H 2.816362 0.443320 -0.442517
H -0.124684 2.791903 1.670025
H 3.605766 -4.758980 -0.516498
H 4.162624 2.495424 -0.845563
H 1.217717 4.850362 1.241443
H 3.360865 4.697566 -0.013315


%chk=000218328-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218328

0 1
O -0.000417 0.379343 1.968457
N -2.306319 -0.052132 -0.411918
C -3.642585 -0.087880 0.282138
C -4.386569 1.032591 -0.495338
C -2.530759 0.164635 -1.865710
C -3.909271 0.885659 -1.967821
C -1.320987 -1.089421 -0.076838
C -3.494002 0.256884 1.778405
C -4.373505 -1.455667 0.115488
C 0.134811 -0.570316 -0.273696
C 1.149405 -1.719846 -0.206139
C 0.454667 0.500527 0.792078
C 1.758107 -2.204365 -1.392033
C 1.457624 -2.352001 1.026749
C 1.334420 1.665769 0.438663
C 2.656010 -3.294721 -1.351621
C 2.355727 -3.441174 1.068844
C 2.086854 1.725745 -0.765275
C 1.429336 2.739938 1.365937
C 2.958652 -3.917337 -0.118833
C 2.913136 2.837613 -1.035809
C 2.245375 3.854009 1.090807
C 2.990523 3.906296 -0.112737
H -4.076331 2.011680 -0.088227
H -5.482851 0.946564 -0.391757
H -2.549334 -0.802522 -2.428547
H -1.713582 0.773638 -2.298904
H -4.619878 0.277374 -2.555318
H -3.827668 1.866757 -2.465696
H -1.442852 -2.013014 -0.695516
H -1.435421 -1.370974 0.984357
H -2.895819 1.176319 1.896595
H -2.985126 -0.547045 2.340421
H -4.489374 0.409772 2.235650
H -4.538021 -1.700645 -0.950435
H -5.358578 -1.432814 0.617444
H -3.786076 -2.275620 0.568645
H 0.196398 -0.113254 -1.277448
H 1.521212 -1.730153 -2.353474
H 1.000331 -1.980761 1.951147
H 3.116927 -3.657505 -2.277538
H 2.587332 -3.917278 2.028458
H 2.053119 0.898913 -1.481619
H 0.851238 2.671272 2.293355
H 3.656270 -4.761666 -0.084185
H 3.497732 2.870835 -1.961708
H 2.305350 4.679933 1.808111
H 3.628270 4.771347 -0.327109


