%chk=000222042.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222042

0 1
O 0.083344 1.125680 -0.383452
O -0.489252 -0.641242 -1.676715
N 3.605765 0.903765 -1.506749
C 5.477601 -0.563774 -0.862010
C 5.509641 0.677820 0.076336
C -1.844427 -1.359719 0.983817
C 4.525807 -0.163105 -2.018533
C 4.386615 1.617908 -0.441891
C -0.516983 -1.600459 1.736878
C -2.952045 -1.480500 2.051633
C -1.872863 0.012311 0.266707
C -0.866848 -2.463650 2.962393
C -2.400137 -2.434309 3.124748
C 2.318569 0.344623 -0.990930
C 6.861660 -0.957722 -1.366500
C 5.316037 0.296385 1.541965
C -3.191518 0.237677 -0.437654
C 1.246968 1.418839 -1.216762
C -0.729705 0.073201 -0.732864
C -4.100628 1.170538 0.082774
C -3.523278 -0.487885 -1.592036
C -5.333278 1.370105 -0.545773
C -4.755568 -0.283045 -2.216134
C -5.663814 0.644064 -1.693884
H 5.036232 -1.430536 -0.317196
H 6.488622 1.199962 -0.026891
H -1.982713 -2.162520 0.219884
H 3.976821 -1.028737 -2.428303
H 5.088416 0.286018 -2.865466
H 4.828391 2.514176 -0.927105
H 3.737419 1.987567 0.371601
H 0.223069 -2.097173 1.088647
H -0.060645 -0.646448 2.054987
H -3.188739 -0.496544 2.492600
H -3.891721 -1.853033 1.612249
H -1.711159 0.821739 1.031347
H -0.511410 -3.499246 2.826260
H -0.365438 -2.081201 3.866763
H -2.821378 -3.446751 2.999334
H -2.688976 -2.102777 4.135373
H 2.347718 0.051697 0.079365
H 2.035430 -0.573676 -1.555399
H 7.344771 -0.144264 -1.920627
H 6.809464 -1.822852 -2.037539
H 7.524907 -1.226540 -0.536201
H 6.094337 -0.399931 1.875702
H 4.347956 -0.186536 1.716251
H 5.365366 1.176022 2.193650
H 0.928358 1.478865 -2.270764
H 1.536862 2.416238 -0.841849
H -3.851082 1.742765 0.974192
H -2.808485 -1.202451 -2.009237
H -6.036396 2.095217 -0.139383
H -5.007503 -0.846395 -3.113540
H -6.623460 0.801540 -2.181770


%chk=000222042-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222042

0 1
O 0.055981 0.851370 0.099218
O -0.471094 -0.970297 -1.258844
N 3.732937 0.308373 -0.629456
C 6.101893 -0.254933 -0.700516
C 5.886237 1.292269 -0.648662
C -2.353946 -1.619109 1.011950
C 4.660740 -0.851361 -0.787476
C 4.490079 1.415956 -0.001997
C -1.229300 -2.143968 1.952785
C -3.628338 -1.728138 1.886269
C -2.088421 -0.188682 0.454597
C -1.914357 -3.190842 2.893542
C -3.447507 -3.090332 2.600842
C 2.407557 0.009805 -0.069358
C 7.031373 -0.715338 -1.839852
C 6.998006 2.053909 0.094223
C -3.241590 0.315266 -0.423946
C 1.361334 1.000750 -0.616364
C -0.779686 -0.178113 -0.336555
C -4.049231 1.393537 0.014711
C -3.539721 -0.304133 -1.665767
C -5.140850 1.841637 -0.763937
C -4.628305 0.144109 -2.445146
C -5.435302 1.216451 -1.997034
H 6.552165 -0.558267 0.267231
H 5.810938 1.667097 -1.689246
H -2.452477 -2.307723 0.148637
H 4.510691 -1.615084 0.011399
H 4.479772 -1.350228 -1.759756
H 4.017361 2.394713 -0.205783
H 4.568495 1.302731 1.112089
H -0.386616 -2.574835 1.383447
H -0.824372 -1.301487 2.547990
H -3.641235 -0.903225 2.628417
H -4.561121 -1.664541 1.299857
H -1.962451 0.503945 1.306733
H -1.540449 -4.213746 2.708056
H -1.700085 -2.958090 3.952558
H -3.758917 -3.906249 1.920936
H -4.060199 -3.175191 3.516137
H 2.398241 0.048373 1.049150
H 2.109259 -1.009168 -0.371980
H 6.602330 -0.444876 -2.823140
H 7.179365 -1.811344 -1.825276
H 8.028648 -0.243094 -1.760817
H 7.978813 1.907342 -0.394968
H 7.085958 1.702188 1.140204
H 6.798144 3.141492 0.118095
H 1.209213 0.836069 -1.696254
H 1.646784 2.046043 -0.421113
H -3.822261 1.883580 0.969575
H -2.905605 -1.122411 -2.025552
H -5.756634 2.676438 -0.410193
H -4.845616 -0.340000 -3.404164
H -6.279933 1.563063 -2.603197


