%chk=000217822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217822

0 1
O 0.703793 -0.291594 -0.741641
O 0.415296 1.719506 0.244574
N 4.320647 -0.034912 0.087274
N -5.491792 -0.973376 0.435531
C 2.864005 -0.204057 0.382826
C 5.168501 -0.969292 0.898577
C 4.740715 1.395337 0.275434
C 2.119422 0.002369 -0.943445
C 5.021218 -2.399223 0.376157
C 6.030423 1.663897 -0.501314
C -1.472457 0.224329 -0.013088
C -3.736178 0.719643 0.722152
C -3.219821 -1.423538 -0.380362
C -4.159589 -0.548444 0.232916
C -2.397868 1.088162 0.593978
C -1.887644 -1.025645 -0.493323
C -0.071378 0.671402 -0.124872
C -4.700503 1.655001 1.378879
C -3.635913 -2.764640 -0.894851
H 2.473686 0.501355 1.149513
H 2.650026 -1.224627 0.767691
H 6.230182 -0.650169 0.790100
H 4.934639 -0.930527 1.984254
H 3.933478 2.053865 -0.119362
H 4.871463 1.668356 1.344661
H 2.395529 -0.742875 -1.710111
H 2.224980 1.026604 -1.338212
H 4.016929 -2.800595 0.553561
H 5.192512 -2.437399 -0.708304
H 5.741380 -3.069203 0.855734
H 6.888359 1.137022 -0.069244
H 5.937781 1.323323 -1.541707
H 6.263317 2.733362 -0.516100
H -2.052719 2.058259 0.964698
H -1.151445 -1.686434 -0.960721
H -5.163277 1.194516 2.264719
H -4.211349 2.576112 1.727250
H -5.500169 1.966015 0.693703
H -4.059967 -3.386244 -0.091903
H -4.381009 -2.681824 -1.697150
H -2.789260 -3.329077 -1.311066
H -5.830030 -1.701770 -0.176837
H -6.180009 -0.247071 0.572929


%chk=000217822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217822

0 1
O 0.721407 -0.520204 -0.804885
O 0.460275 1.653022 0.018200
N 4.354876 -0.120360 0.180164
N -5.568588 -0.740442 0.411588
C 2.941391 -0.541571 0.329723
C 5.328030 -1.029036 0.838388
C 4.558899 1.317172 0.515185
C 2.173781 -0.241666 -0.972829
C 5.524978 -2.350783 0.071602
C 5.740686 1.948930 -0.244486
C -1.468842 0.166752 -0.110446
C -3.727413 0.859776 0.593459
C -3.329874 -1.437597 -0.288918
C -4.217867 -0.441979 0.240132
C -2.363333 1.138451 0.411290
C -1.971752 -1.115757 -0.454461
C -0.045748 0.534006 -0.270548
C -4.676846 1.904693 1.150477
C -3.863053 -2.809711 -0.658193
H 2.435109 -0.026287 1.178051
H 2.895632 -1.626107 0.532596
H 6.298713 -0.502224 0.884228
H 5.036131 -1.245820 1.897536
H 3.631821 1.858971 0.251457
H 4.697839 1.457115 1.616961
H 2.499929 -0.907879 -1.785988
H 2.306677 0.813619 -1.267192
H 4.583832 -2.925803 -0.005088
H 5.881213 -2.144605 -0.952735
H 6.266947 -2.990800 0.585258
H 6.699271 1.453155 -0.004751
H 5.579228 1.866366 -1.333487
H 5.841331 3.018378 0.019877
H -1.961789 2.124127 0.672098
H -1.280260 -1.862032 -0.857224
H -5.154229 1.570500 2.094615
H -4.141152 2.842574 1.370017
H -5.488740 2.149709 0.435305
H -4.307142 -3.331116 0.214652
H -4.643416 -2.753935 -1.444867
H -3.055631 -3.452412 -1.045547
H -5.935502 -1.655117 0.168020
H -6.210917 -0.048178 0.784260


