%chk=000245742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245742

0 1
O 0.810238 2.346252 -0.314161
N -2.527698 0.130987 0.371813
N 3.340314 1.148546 -0.608793
C -2.515713 -0.085527 -1.113826
C -3.843552 0.698776 0.821680
C -3.634220 -1.063017 -1.509632
C -4.980626 -0.269864 0.455390
C -5.004805 -0.548387 -1.052592
C -1.409953 1.048435 0.781220
C -0.077654 0.365944 0.610733
C 1.006486 1.048315 0.074325
C 0.102181 -0.984892 1.021278
C 2.292389 0.413459 -0.065069
C 2.438496 -0.936136 0.356325
C 1.316109 -1.621856 0.900922
C 3.732683 -1.535392 0.202942
C 4.760787 -0.805199 -0.332714
C 4.520870 0.553866 -0.732754
H -1.527434 -0.519500 -1.382847
H -2.618164 0.861779 -1.685361
H -4.048951 1.702105 0.390477
H -3.802008 0.818820 1.925895
H -3.436254 -2.052174 -1.050500
H -3.622588 -1.217133 -2.603518
H -5.947085 0.148945 0.788395
H -4.842593 -1.221710 1.006585
H -5.270396 0.371709 -1.606311
H -5.789745 -1.289202 -1.291096
H -1.539004 1.297868 1.860909
H -1.415653 2.019139 0.230662
H -0.769311 -1.508337 1.429610
H 1.433831 -2.655394 1.219069
H 3.872784 -2.569225 0.518739
H 1.652278 2.742326 -0.691267
H 5.755101 -1.225792 -0.463949
H 5.337760 1.146065 -1.163078


%chk=000245742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245742

0 1
O 1.074677 2.448746 -0.210557
N -2.557478 0.201637 0.262508
N 3.440642 1.221510 -0.361248
C -2.668129 -0.131221 -1.182371
C -3.830552 0.752786 0.792455
C -3.787144 -1.162082 -1.430132
C -4.986497 -0.251048 0.607503
C -5.136756 -0.646438 -0.879632
C -1.405530 1.092985 0.541471
C -0.064569 0.381507 0.424109
C 1.094866 1.087818 0.075046
C 0.062739 -1.017619 0.710971
C 2.368107 0.422845 0.000068
C 2.475069 -0.983245 0.291332
C 1.285670 -1.694350 0.651000
C 3.785311 -1.554776 0.191922
C 4.869125 -0.747687 -0.172568
C 4.653927 0.642114 -0.443006
H -1.695658 -0.530660 -1.523128
H -2.876093 0.791910 -1.786313
H -4.099041 1.715551 0.280865
H -3.691073 0.978940 1.866735
H -3.518618 -2.110371 -0.925071
H -3.861056 -1.369847 -2.515020
H -5.924818 0.194448 0.990832
H -4.772274 -1.154504 1.211000
H -5.455289 0.241514 -1.464584
H -5.925733 -1.412933 -0.999753
H -1.518106 1.469247 1.579035
H -1.393149 1.996363 -0.114616
H -0.862237 -1.543523 0.973080
H 1.341944 -2.765139 0.877026
H 3.926942 -2.621176 0.402675
H 2.029594 2.681796 -0.436668
H 5.879695 -1.159226 -0.254808
H 5.490394 1.288731 -0.730657


