%chk=000294273.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294273

0 1
O -7.077604 0.000668 -0.021303
O -1.825427 0.021689 1.379207
N -4.229899 0.000249 -0.002710
N -2.962671 -0.009857 -0.636496
C 3.235973 0.000311 0.331867
C 4.537951 -0.012160 -0.480201
C 2.003654 -0.011622 -0.583083
C 5.769133 -0.000013 0.436034
C 0.708137 0.001167 0.235711
C 7.071893 -0.012434 -0.374611
C -0.529891 -0.010646 -0.670794
C -4.999747 1.230283 -0.415275
C -5.000359 -1.241532 -0.377173
C -6.352994 1.201994 0.311836
C -6.353585 -1.190174 0.348714
C 8.303958 -0.000578 0.541310
C -1.799477 0.002669 0.170469
C 9.603985 -0.012653 -0.259864
H 3.209520 0.892200 0.987899
H 3.208137 -0.872698 1.012768
H 4.566956 0.861339 -1.159668
H 4.565690 -0.904666 -1.134558
H 2.031335 -0.904561 -1.236873
H 2.032880 0.862306 -1.262011
H 5.741928 0.892155 1.091129
H 5.740684 -0.873177 1.116201
H 0.673712 -0.868854 0.923317
H 0.675231 0.890483 0.898269
H 7.101019 -0.904133 -1.029749
H 7.102421 0.860491 -1.054503
H -0.509473 -0.906790 -1.322354
H -0.507940 0.866576 -1.347593
H -4.416341 2.122334 -0.097528
H -5.156944 1.305956 -1.511173
H -5.157607 -1.350866 -1.470220
H -4.417392 -2.123658 -0.032086
H -7.031696 1.998054 -0.040717
H -6.227923 1.258251 1.408711
H -7.032682 -1.996390 0.020864
H -6.228531 -1.212654 1.446802
H 8.277206 0.892141 1.196444
H 8.275937 -0.874716 1.220992
H -2.912300 -0.025683 -1.655520
H 9.681399 0.860997 -0.916898
H 10.477003 -0.003376 0.402233
H 9.680739 -0.905022 -0.891317


%chk=000294273-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294273

0 1
O -7.210198 0.028571 -0.126549
O -1.916828 0.014454 1.487159
N -4.329091 -0.002801 -0.066151
N -3.013926 -0.029065 -0.587686
C 3.262990 -0.022187 0.367933
C 4.575032 -0.015430 -0.448303
C 1.994650 -0.028799 -0.514833
C 5.844700 -0.008250 0.432731
C 0.687301 -0.028458 0.307343
C 7.156640 0.001298 -0.384007
C -0.567073 -0.034090 -0.587010
C -5.062388 1.231844 -0.452822
C -5.090371 -1.237942 -0.392672
C -6.440337 1.230581 0.234602
C -6.467255 -1.171282 0.293587
C 8.426868 0.008914 0.497103
C -1.875680 -0.014839 0.228645
C 9.732384 0.019095 -0.327584
H 3.240575 0.865446 1.033895
H 3.249738 -0.909413 1.034664
H 4.587503 0.872536 -1.114878
H 4.597108 -0.903342 -1.114702
H 2.018030 -0.919492 -1.178197
H 2.013521 0.857554 -1.184151
H 5.822401 0.878649 1.100164
H 5.833896 -0.896774 1.098262
H 0.660755 -0.908277 0.977521
H 0.656961 0.856785 0.970061
H 7.180621 -0.885729 -1.051440
H 7.168818 0.890020 -1.049498
H -0.558416 -0.930711 -1.240970
H -0.548831 0.845610 -1.263455
H -4.475473 2.105815 -0.120522
H -5.204137 1.294615 -1.560888
H -5.234355 -1.351339 -1.496396
H -4.523183 -2.107741 -0.017995
H -7.048375 2.087013 -0.099160
H -6.303169 1.273170 1.335541
H -7.094828 -2.029182 0.002521
H -6.329884 -1.162401 1.395292
H 8.401774 0.895126 1.163708
H 8.414026 -0.879234 1.161461
H -2.889495 -0.052138 -1.612789
H 9.782332 0.912700 -0.978075
H 10.625129 0.025211 0.324455
H 9.795538 -0.872691 -0.979413


