%chk=000268602.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268602

0 1
O -4.351776 0.048550 0.298612
O -2.720898 -1.556640 0.432154
N -2.246552 0.693422 -0.094154
N -0.831418 -2.681635 -1.824871
C 1.356445 0.003640 -0.969950
C 1.342422 1.416787 -0.410725
C 0.013577 1.778715 -0.051770
C -0.119884 -0.399591 -0.877844
C -0.863079 0.617617 -0.343277
C 2.295464 -0.897039 -0.205171
C 2.391800 2.305443 -0.235318
C -0.262414 3.031455 0.481776
C 3.582035 -1.133829 -0.713085
C 1.907421 -1.481618 1.008656
C 2.107534 3.572267 0.300951
C 0.802637 3.929858 0.652759
C -0.530093 -1.657369 -1.377291
C 4.471006 -1.950470 -0.008979
C 2.800220 -2.299219 1.706813
C 4.082695 -2.534079 1.201152
C -3.055185 -0.416090 0.223763
C -5.366901 -0.976776 0.623026
C -6.659880 -0.194463 0.623007
H 1.645000 0.029868 -2.054300
H 3.411413 2.027212 -0.495909
H -1.271257 3.317186 0.769340
H -2.683618 1.619757 -0.109796
H 3.891207 -0.690001 -1.657002
H 0.906079 -1.306634 1.403645
H 2.920088 4.284553 0.446906
H 0.607382 4.917401 1.069379
H 5.467352 -2.135540 -0.406940
H 2.492353 -2.757160 2.645913
H 4.775184 -3.172774 1.745733
H -5.314723 -1.754058 -0.159711
H -5.103127 -1.406125 1.604918
H -7.515596 -0.846762 0.839718
H -6.648355 0.607857 1.373714
H -6.840755 0.284983 -0.349743


%chk=000268602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268602

0 1
O -4.403959 0.115432 0.259819
O -2.750402 -1.556371 0.448884
N -2.253059 0.686479 -0.132519
N -0.810196 -2.694509 -1.941538
C 1.377966 -0.002070 -0.925922
C 1.336598 1.420894 -0.369363
C -0.002779 1.771093 -0.042531
C -0.102758 -0.418538 -0.864735
C -0.870798 0.618814 -0.348897
C 2.358160 -0.929250 -0.198924
C 2.384197 2.329124 -0.153210
C -0.313565 3.039862 0.494870
C 3.590185 -1.273862 -0.805689
C 2.066555 -1.422579 1.097766
C 2.077557 3.608793 0.376328
C 0.741786 3.960101 0.695077
C -0.528880 -1.656482 -1.411762
C 4.522612 -2.092106 -0.127700
C 2.994783 -2.241508 1.775040
C 4.227866 -2.576617 1.166383
C -3.093494 -0.380302 0.206515
C -5.443915 -0.887524 0.642250
C -6.790993 -0.179805 0.548570
H 1.682571 0.036438 -1.993070
H 3.420111 2.052840 -0.377842
H -1.338323 3.316338 0.770648
H -2.698639 1.606713 -0.141705
H 3.816668 -0.911441 -1.816553
H 1.106308 -1.176674 1.566055
H 2.881661 4.332574 0.548445
H 0.527479 4.950705 1.110555
H 5.469785 -2.356814 -0.610839
H 2.755939 -2.624456 2.773551
H 4.945494 -3.216435 1.691927
H -5.365236 -1.746046 -0.048160
H -5.222558 -1.243141 1.664959
H -7.598415 -0.882811 0.822534
H -6.835228 0.683148 1.234956
H -6.977279 0.178689 -0.478071


