%chk=000245068.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245068

0 1
O -5.431865 2.324785 0.342396
N 4.867603 0.969042 -0.352625
N 0.021985 -1.157983 0.717412
N -3.406853 -1.378064 -1.764330
C 2.411456 -1.521674 1.226289
C 1.107942 -2.178195 0.725309
C 2.990850 -0.543376 0.199930
C 4.249497 0.154706 0.744955
C 0.716103 -3.365726 1.614638
C 6.317626 1.243847 -0.078183
C 4.104737 2.243742 -0.574895
C -1.112181 -1.259796 -0.078157
C -2.184793 -0.298091 0.098222
C 7.144992 -0.021098 -0.313342
C 4.428524 2.811204 -1.957675
C -1.238322 -2.233538 -1.071615
C -3.316162 -0.399521 -0.777767
C -2.176892 0.731399 1.077320
C -2.396275 -2.243608 -1.885520
C -4.393008 0.518131 -0.651045
C -3.217669 1.621939 1.203644
C -4.330548 1.501062 0.321508
C -5.472572 3.392763 1.318587
H 2.244959 -1.012656 2.194578
H 3.151746 -2.318985 1.440576
H 1.255752 -2.540439 -0.329429
H 2.231482 0.209820 -0.091679
H 3.246057 -1.072616 -0.741448
H 4.002121 0.754687 1.645670
H 4.983918 -0.615270 1.071097
H 0.015826 -0.508298 1.498817
H 0.603437 -3.080589 2.665861
H -0.241173 -3.800951 1.296115
H 1.465092 -4.163666 1.567931
H 6.659161 2.034944 -0.784255
H 6.496593 1.635236 0.946140
H 3.016054 2.011243 -0.526695
H 4.301039 3.006371 0.208876
H 6.934588 -0.795544 0.432317
H 6.918136 -0.455528 -1.297135
H 8.216671 0.197833 -0.280565
H 5.461020 3.171832 -2.023780
H 4.310722 2.039818 -2.731870
H 3.762763 3.643048 -2.207849
H -0.467164 -2.974629 -1.241981
H -1.319402 0.818347 1.748277
H -2.498037 -3.002592 -2.673421
H -5.249898 0.435568 -1.320654
H -3.193330 2.400540 1.957126
H -5.463610 2.983227 2.332365
H -4.651271 4.094731 1.150302
H -6.440525 3.861065 1.093655


%chk=000245068-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245068

0 1
O -5.197190 2.539992 0.094504
N 4.744349 1.084342 -0.227302
N 0.043066 -1.380830 0.730647
N -3.558729 -1.623597 -1.595234
C 2.440061 -1.710899 1.201319
C 1.121230 -2.391149 0.756974
C 2.979354 -0.671056 0.194705
C 4.236758 0.056903 0.718530
C 0.761103 -3.590339 1.669999
C 6.210058 1.311418 -0.099886
C 3.962331 2.349488 -0.159828
C -1.121534 -1.467413 -0.014308
C -2.120474 -0.407882 0.059824
C 7.049773 0.182156 -0.727193
C 4.031212 3.172653 -1.460355
C -1.392271 -2.552765 -0.878801
C -3.319702 -0.541016 -0.747880
C -1.985122 0.755335 0.874690
C -2.599616 -2.570776 -1.631221
C -4.315488 0.476147 -0.693660
C -2.970496 1.748689 0.917583
C -4.151178 1.602598 0.122528
C -5.065312 3.738113 0.925053
H 2.279830 -1.234700 2.194285
H 3.198140 -2.502287 1.363284
H 1.258901 -2.757978 -0.280472
H 2.183932 0.062071 -0.041170
H 3.235636 -1.165249 -0.761713
H 4.019105 0.498849 1.727157
H 5.034158 -0.693409 0.877299
H 0.133013 -0.613488 1.396044
H 0.710962 -3.271235 2.727574
H -0.219639 -4.016529 1.396037
H 1.522190 -4.387928 1.585701
H 6.450977 2.254939 -0.622381
H 6.509533 1.458366 0.970054
H 2.905772 2.083260 0.027335
H 4.286521 2.981306 0.707480
H 6.875342 -0.789743 -0.230486
H 6.791964 0.068826 -1.794428
H 8.128928 0.410318 -0.643379
H 5.063947 3.485818 -1.697931
H 3.654716 2.573868 -2.307541
H 3.416848 4.088226 -1.371435
H -0.695898 -3.388197 -0.982950
H -1.092299 0.908537 1.494449
H -2.793282 -3.419127 -2.300487
H -5.212092 0.360266 -1.307398
H -2.826542 2.625482 1.555527
H -4.996959 3.481919 2.000650
H -4.184669 4.342045 0.630203
H -5.984315 4.314162 0.742003


