%chk=000244711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244711

0 1
O 1.013058 1.152155 3.378832
N -1.753724 -0.019854 0.549494
C 2.564240 0.358927 -0.472613
C 0.622367 0.402417 1.171752
C 1.227178 -0.287112 -0.061903
C 3.146362 -0.265908 -1.783034
C 3.553946 0.274565 0.708746
C 1.629218 0.351605 2.341251
C 2.986085 0.959724 1.956712
C -0.707124 -0.261579 1.596918
C 2.133144 -0.077054 -2.931300
C 3.443143 -1.766808 -1.612862
C 4.449817 0.466019 -2.168840
C -2.869980 -1.016600 0.664645
C -2.273090 1.386742 0.623936
C -2.418600 -2.351743 0.047374
C -2.885470 1.770811 -0.733731
C -3.551757 -3.384859 0.069065
C -3.360534 3.228989 -0.734937
C -3.111626 -4.715314 -0.538136
C -3.974663 3.619485 -2.077647
H 2.373392 1.440517 -0.684592
H 0.421231 1.478168 0.933114
H 0.492545 -0.225078 -0.892630
H 1.364853 -1.366513 0.131545
H 4.516535 0.746741 0.435229
H 3.785498 -0.784457 0.931759
H 1.747202 -0.677708 2.742041
H 3.699405 0.873616 2.795422
H 2.862029 2.045828 1.774307
H -0.999097 0.123476 2.600681
H -0.558859 -1.357175 1.709352
H 2.517957 -0.481178 -3.872359
H 1.904511 0.980279 -3.096642
H 1.185370 -0.586237 -2.721067
H 2.536179 -2.328232 -1.365047
H 4.170745 -1.946424 -0.815633
H 3.851811 -2.197259 -2.532542
H 5.232731 0.324681 -1.417270
H 4.287794 1.542339 -2.281100
H 4.843882 0.094757 -3.120290
H 1.619919 1.276675 4.127274
H -3.210068 -1.167728 1.710754
H -3.748923 -0.631379 0.100741
H -3.010430 1.534050 1.440528
H -1.418824 2.067049 0.847929
H -2.073548 -2.177421 -0.991175
H -1.534129 -2.741944 0.587072
H -2.136097 1.607362 -1.533634
H -3.726287 1.093783 -0.979501
H -3.897565 -3.545863 1.108890
H -4.428389 -2.995125 -0.484832
H -2.511695 3.902334 -0.503791
H -4.100585 3.386867 0.073821
H -2.270040 -5.151218 0.011926
H -3.927476 -5.446376 -0.524676
H -2.793992 -4.596355 -1.580489
H -4.844439 2.998238 -2.319391
H -4.306750 4.663425 -2.073000
H -3.255287 3.506677 -2.896947


%chk=000244711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244711

0 1
O 1.068798 1.277441 3.492417
N -1.790844 0.056871 0.641770
C 2.555089 0.279642 -0.462415
C 0.627385 0.457181 1.246373
C 1.208110 -0.310340 0.032554
C 3.100957 -0.393122 -1.780912
C 3.566160 0.268687 0.717619
C 1.645092 0.459070 2.401163
C 3.004567 1.025854 1.945521
C -0.739403 -0.128072 1.680807
C 2.057539 -0.225675 -2.921934
C 3.394345 -1.906339 -1.589626
C 4.409048 0.317018 -2.233222
C -2.813450 -1.021083 0.649176
C -2.386419 1.419726 0.662560
C -2.339279 -2.315761 -0.045118
C -2.884891 1.878363 -0.724750
C -3.391193 -3.446376 0.021978
C -3.521706 3.286657 -0.696865
C -2.937860 -4.730455 -0.705539
C -4.000418 3.753098 -2.088867
H 2.369697 1.347694 -0.723045
H 0.478833 1.518658 0.954164
H 0.438715 -0.296960 -0.758379
H 1.356471 -1.373120 0.321953
H 4.525615 0.731177 0.422560
H 3.788444 -0.780180 1.003905
H 1.790545 -0.587478 2.760856
H 3.731239 0.980145 2.784072
H 2.861906 2.096464 1.694658
H -1.036567 0.325605 2.653715
H -0.612168 -1.214765 1.854982
H 2.475065 -0.590242 -3.879678
H 1.782502 0.838448 -3.055066
H 1.131714 -0.794006 -2.724680
H 2.482777 -2.466761 -1.313620
H 4.154889 -2.081272 -0.806445
H 3.780558 -2.341293 -2.530996
H 5.244402 0.138090 -1.532428
H 4.259723 1.411042 -2.316598
H 4.725401 -0.057084 -3.225430
H 1.742949 1.362779 4.213603
H -3.148924 -1.261287 1.691621
H -3.708113 -0.648964 0.114508
H -3.225390 1.489345 1.402125
H -1.612400 2.129523 1.010457
H -2.100356 -2.080575 -1.101074
H -1.395026 -2.668565 0.417282
H -2.027819 1.862274 -1.426555
H -3.624522 1.152658 -1.120693
H -3.612371 -3.679580 1.084014
H -4.343446 -3.087833 -0.420910
H -2.785803 4.013679 -0.295722
H -4.377174 3.290451 0.009712
H -2.003165 -5.126883 -0.265318
H -3.704342 -5.524931 -0.642888
H -2.743950 -4.530692 -1.776303
H -4.760697 3.061188 -2.498372
H -4.449393 4.762712 -2.047326
H -3.158348 3.785953 -2.805853


