%chk=000223622.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223622

0 1
O -1.512115 -1.377313 1.574796
N -2.993755 0.332671 -0.240640
N 1.187570 1.381241 -0.185477
C -1.640253 -0.214199 -0.572383
C -0.868668 -0.373840 0.759300
C 0.541304 -0.866807 0.522129
C -4.045369 -0.172205 -1.183603
C -2.966882 1.833525 -0.189135
C 1.543749 0.055274 0.053560
C 0.889897 -2.175515 0.761173
C 2.876046 -0.404286 -0.153741
C -4.388036 -1.625042 -0.849656
C -4.135132 2.343963 0.655088
C 2.222714 -2.632580 0.550780
C 3.194403 -1.772916 0.104242
C 3.850620 0.537080 -0.612955
C 3.485591 1.839604 -0.839084
C 2.124031 2.224276 -0.609284
H -1.734284 -1.211772 -1.053707
H -1.059427 0.422625 -1.272984
H -0.864736 0.573334 1.350564
H -4.956761 0.455261 -1.058070
H -3.744894 -0.083619 -2.249740
H -2.007713 2.153050 0.281230
H -2.988726 2.297660 -1.198310
H 0.133736 -2.876675 1.131967
H -3.524368 -2.289879 -0.973302
H -4.716889 -1.722343 0.193076
H -5.192737 -1.996861 -1.491721
H -5.103014 2.146487 0.181122
H -4.153817 1.850569 1.636372
H -4.055270 3.422710 0.823192
H -2.486926 -1.212745 1.567474
H 2.451566 -3.678055 0.755643
H 4.215909 -2.113187 -0.057448
H 4.874447 0.199381 -0.774843
H 4.197694 2.583909 -1.185396
H 1.815592 3.262517 -0.785728


%chk=000223622-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223622

0 1
O -1.651905 -0.889054 1.622863
N -3.010204 0.410345 -0.250903
N 1.398650 1.406032 -0.330884
C -1.568281 0.188446 -0.561648
C -0.805661 -0.039727 0.788238
C 0.549912 -0.688123 0.578481
C -3.940174 -0.198891 -1.246104
C -3.315411 1.840695 0.053859
C 1.630198 0.074377 0.006771
C 0.772834 -2.022118 0.938299
C 2.922091 -0.554854 -0.194486
C -4.050392 -1.728321 -1.103679
C -4.534298 2.012130 0.979235
C 2.044676 -2.642481 0.734206
C 3.105004 -1.925858 0.175753
C 3.968787 0.240913 -0.764493
C 3.721413 1.573617 -1.098528
C 2.416547 2.112024 -0.858910
H -1.479020 -0.726801 -1.172381
H -1.103383 1.029325 -1.113853
H -0.652425 0.948381 1.272301
H -4.939038 0.245697 -1.085543
H -3.635809 0.066944 -2.286491
H -2.425829 2.268703 0.551174
H -3.462677 2.421064 -0.888240
H -0.055476 -2.569443 1.397207
H -3.074363 -2.227145 -1.239636
H -4.428754 -1.997111 -0.101666
H -4.745216 -2.133558 -1.862505
H -5.459935 1.612777 0.526285
H -4.366776 1.485795 1.935445
H -4.704017 3.083427 1.194188
H -2.578839 -0.634696 1.294675
H 2.183452 -3.689126 1.027381
H 4.083039 -2.396957 0.018917
H 4.955255 -0.208680 -0.929803
H 4.499478 2.208827 -1.533310
H 2.201647 3.158722 -1.107713


