%chk=000185406.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185406

0 1
O 1.357241 1.404478 -0.516481
O -3.339773 -1.207058 -0.177950
N -1.849973 0.346382 0.164439
N -2.608708 -0.650248 0.603210
C 1.223556 0.095680 0.064790
C 0.366436 0.177415 1.340164
C -0.919780 0.991446 1.133928
C 2.602413 -0.519361 0.350830
C 3.393962 -0.726390 -0.935779
C -1.818324 0.836413 -1.237586
H 0.688251 -0.455400 -0.744365
H 0.942410 0.630730 2.169423
H 0.113776 -0.849118 1.677746
H -0.665382 2.010413 0.758562
H -1.442960 1.115881 2.110297
H 2.478464 -1.486922 0.876998
H 3.174411 0.125807 1.045198
H 2.944373 -1.500488 -1.569215
H 4.425613 -1.030157 -0.727322
H 3.429761 0.196045 -1.532139
H 1.964560 1.963385 0.002187
H -2.497338 1.695497 -1.361324
H -2.153321 0.041827 -1.929059
H -0.798567 1.148643 -1.527853


%chk=000185406-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185406

0 1
O 1.406742 1.486232 -0.533989
O -3.590947 -0.947096 -0.246546
N -1.847950 0.394644 0.176743
N -2.804064 -0.473748 0.662290
C 1.253278 0.136925 0.068999
C 0.392835 0.201135 1.349809
C -0.940799 0.970224 1.189918
C 2.625204 -0.525789 0.314990
C 3.430579 -0.753910 -0.980416
C -1.788524 0.751326 -1.256200
H 0.714349 -0.424055 -0.715319
H 0.973796 0.690849 2.160146
H 0.174441 -0.831022 1.686059
H -0.734979 2.017597 0.907471
H -1.485939 0.961117 2.149604
H 2.461708 -1.492072 0.832535
H 3.205783 0.107501 1.020695
H 2.915485 -1.473639 -1.643413
H 4.435999 -1.156063 -0.760784
H 3.547931 0.190883 -1.539991
H 2.011557 2.019517 0.044142
H -2.711748 1.282354 -1.553521
H -1.728354 -0.163568 -1.872456
H -0.905280 1.385561 -1.422068


