%chk=000245756.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245756

0 1
O -0.186915 -0.847075 0.255312
O 0.336414 -0.613241 -1.952741
N -0.625279 2.041312 -0.139367
C -1.639202 1.427865 -1.061129
C -2.292210 0.203639 -0.472944
C -1.262167 2.505393 1.139361
C 0.088667 3.166530 -0.835521
C -1.575206 -0.881802 0.055648
C -2.205572 -2.046585 0.546456
C -3.694401 0.105848 -0.492422
C -0.186809 2.694353 2.210857
C 1.105014 2.609212 -1.831759
C -3.603912 -2.101993 0.508173
C -4.340680 -1.031782 -0.008403
C -1.408933 -3.185613 1.086367
C 0.686271 -0.613582 -0.798401
C 2.050366 -0.455367 -0.231899
C 3.134093 -1.062195 -0.884614
C 2.248888 0.310934 0.923820
C 4.421228 -0.905218 -0.366642
C 3.541154 0.465732 1.433361
C 4.623623 -0.143519 0.790965
H -1.093876 1.111490 -1.993000
H -2.412746 2.158229 -1.388145
H -1.853388 3.437141 1.015736
H -1.975145 1.719594 1.479932
H -0.609573 3.861640 -1.350537
H 0.623931 3.769701 -0.068550
H -4.284739 0.928285 -0.893583
H 0.494817 1.824015 2.226676
H 0.426428 3.583175 2.030119
H -0.634374 2.787602 3.205113
H 1.905326 2.060962 -1.317238
H 0.647962 1.895848 -2.533560
H 1.565754 3.409834 -2.417349
H -4.118390 -2.986610 0.879171
H -5.427839 -1.088545 -0.034142
H -0.358912 -2.902976 1.265660
H -1.401491 -4.029064 0.380815
H -1.812588 -3.552117 2.039244
H 2.967161 -1.646297 -1.791267
H 1.382937 0.792559 1.409186
H 5.268043 -1.374194 -0.865019
H 3.703189 1.060270 2.330689
H 5.630182 -0.024186 1.191172


%chk=000245756-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245756

0 1
O -0.234804 -0.861187 0.440860
O 0.401011 -0.693290 -1.807433
N -0.570601 2.038206 -0.259685
C -1.622949 1.400309 -1.096013
C -2.306719 0.181958 -0.485790
C -1.092489 2.446538 1.076060
C 0.060877 3.180357 -0.981147
C -1.636590 -0.890759 0.159391
C -2.315230 -2.024165 0.680797
C -3.715933 0.072446 -0.612806
C 0.014914 2.799975 2.086650
C 0.868765 2.776992 -2.229100
C -3.719965 -2.084845 0.528634
C -4.420402 -1.044404 -0.119879
C -1.544105 -3.135791 1.365022
C 0.703459 -0.661194 -0.592851
C 2.083857 -0.516613 -0.048215
C 3.155705 -0.431643 -0.974409
C 2.349706 -0.472985 1.344703
C 4.481084 -0.302228 -0.512297
C 3.677618 -0.345474 1.803278
C 4.745146 -0.258997 0.877850
H -1.143402 1.076835 -2.037854
H -2.421659 2.139817 -1.364270
H -1.808563 3.304929 0.982857
H -1.671930 1.595491 1.475227
H -0.715002 3.939949 -1.267307
H 0.746254 3.678388 -0.273572
H -4.259952 0.887312 -1.105213
H 0.761750 1.988177 2.125746
H 0.540289 3.738948 1.836561
H -0.422352 2.926641 3.094407
H 1.628496 2.021301 -1.968099
H 0.236525 2.359648 -3.031790
H 1.383822 3.665725 -2.638859
H -4.260209 -2.954591 0.919769
H -5.508318 -1.100558 -0.233566
H -0.995275 -2.761788 2.248541
H -0.787741 -3.573572 0.688067
H -2.224455 -3.940375 1.691616
H 2.927367 -0.474524 -2.044774
H 1.515112 -0.541465 2.047813
H 5.306350 -0.237906 -1.229664
H 3.882025 -0.312710 2.879031
H 5.775614 -0.159676 1.237317


