%chk=000208998.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208998

0 1
O 2.522095 3.862371 1.298383
O -3.642294 0.487819 2.189421
O -3.164361 -0.990561 -2.385363
O -4.827898 -0.569415 -0.029756
N 1.330411 1.248234 0.722216
C 2.785968 1.507951 0.697690
C 3.637082 0.261302 1.027500
C 3.792232 -0.665824 -0.145723
C 3.035668 2.609482 1.760267
C 4.545799 -0.270390 -1.262489
C 3.197059 -1.936417 -0.127465
C -0.694433 0.203476 -0.047824
C 0.779879 0.410219 -0.091315
C -1.321976 -0.287292 -1.193046
C -1.432846 0.476852 1.114107
C -2.812028 0.251700 1.119044
C -2.717239 -0.501917 -1.188073
C -3.481690 -0.238927 -0.033424
C 4.695315 -1.135571 -2.348861
C 3.351019 -2.798385 -1.216981
C 4.098035 -2.400389 -2.329688
C -3.042855 1.007754 3.404035
C -4.579149 -1.281643 -2.534561
C -5.717821 0.536250 0.288865
H 3.087229 1.921812 -0.303601
H 3.194070 -0.268622 1.896759
H 4.645162 0.579530 1.370639
H 2.572155 2.359332 2.730895
H 4.112902 2.816319 1.893615
H 5.017994 0.710143 -1.282615
H 2.613929 -2.255385 0.734831
H 1.299724 -0.197840 -0.854255
H -0.769226 -0.507175 -2.104313
H -0.915954 0.866343 1.988512
H 5.280427 -0.823963 -3.213124
H 2.886254 -3.783445 -1.197476
H 4.215916 -3.072493 -3.177148
H 1.551239 3.787700 1.148252
H -2.592269 1.986880 3.217507
H -2.316274 0.293794 3.803158
H -3.916350 1.089849 4.063146
H -4.609338 -1.725010 -3.535966
H -4.904146 -1.989241 -1.762169
H -5.155576 -0.354563 -2.478580
H -5.555115 0.854027 1.326388
H -5.565098 1.361805 -0.408384
H -6.703025 0.075224 0.167069


%chk=000208998-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208998

0 1
O 2.155239 4.012826 1.163535
O -3.443477 0.057369 2.238991
O -3.151435 -0.781771 -2.589384
O -4.663938 -0.861056 -0.084424
N 1.443102 1.345657 0.732888
C 2.868951 1.709644 0.563008
C 3.787019 0.527233 1.013441
C 3.778639 -0.640988 0.041723
C 3.120433 2.950872 1.448891
C 4.613184 -0.630608 -1.107296
C 2.911871 -1.746973 0.236355
C -0.634647 0.484346 -0.220540
C 0.778411 0.897612 -0.301502
C -1.290393 0.049769 -1.390959
C -1.337820 0.519827 1.014209
C -2.680635 0.110371 1.059405
C -2.650308 -0.345422 -1.358027
C -3.365170 -0.326039 -0.125696
C 4.583599 -1.695309 -2.035370
C 2.878113 -2.814602 -0.689520
C 3.713899 -2.792328 -1.829543
C -2.760904 0.386607 3.494356
C -4.591103 -0.704923 -2.894326
C -5.744197 0.000594 0.445971
H 3.105641 1.960519 -0.496250
H 3.450516 0.203694 2.016266
H 4.813558 0.929887 1.121558
H 3.070473 2.647922 2.517617
H 4.112685 3.385532 1.241005
H 5.295142 0.213964 -1.270235
H 2.258026 -1.767601 1.116335
H 1.246952 0.806853 -1.304771
H -0.771031 0.017034 -2.354221
H -0.795101 0.851639 1.902873
H 5.238621 -1.672887 -2.913953
H 2.199992 -3.659115 -0.522947
H 3.689957 -3.619421 -2.547963
H 1.256825 3.589373 1.219450
H -2.413954 1.437649 3.500364
H -1.901516 -0.288491 3.667220
H -3.517539 0.238282 4.278785
H -4.647352 -0.871621 -3.981622
H -5.155626 -1.476144 -2.348504
H -4.996484 0.295495 -2.648409
H -5.546899 0.267207 1.496079
H -5.842595 0.916671 -0.169582
H -6.658121 -0.607449 0.364817


