%chk=000222011.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222011

0 1
O 0.815467 -2.443866 -0.986839
N 0.109841 -0.463708 -0.153285
C 1.277474 0.227118 -0.767809
C -0.857319 0.388244 0.577116
C 2.390044 0.460249 0.268140
C -1.974274 0.893606 -0.354463
C 3.570984 1.209555 -0.359668
C -2.986588 1.749034 0.415050
C -0.030607 -1.845923 -0.335799
C -1.230352 -2.555932 0.308578
C 4.691469 1.445413 0.663164
C -4.103188 2.259149 -0.507305
C -0.768772 -3.137948 1.646820
C -1.721696 -3.644935 -0.646373
C 5.870890 2.192949 0.045232
C -5.116328 3.111935 0.252414
H 1.666326 -0.407742 -1.602771
H 0.943588 1.186613 -1.215102
H -1.289957 -0.177668 1.431961
H -0.315145 1.251406 1.026062
H 1.998686 1.021581 1.136625
H 2.728285 -0.517100 0.668669
H -1.534499 1.476861 -1.186979
H -2.483919 0.037355 -0.837698
H 3.967301 0.634831 -1.220160
H 3.232233 2.178282 -0.773978
H -3.427654 1.163804 1.245075
H -2.475139 2.608325 0.890805
H -2.070450 -1.841647 0.489368
H 4.299462 2.014746 1.528273
H 5.036994 0.474797 1.071023
H -3.666373 2.848569 -1.337457
H -4.618776 1.402621 -0.984618
H 0.052405 -3.855312 1.504950
H -0.409015 -2.360542 2.329269
H -1.583361 -3.673490 2.146887
H -0.894545 -4.307628 -0.946405
H -2.133638 -3.217716 -1.567327
H -2.495497 -4.265170 -0.183879
H 6.307632 1.635465 -0.791562
H 5.572228 3.175582 -0.336689
H 6.666543 2.354422 0.781105
H -5.598642 2.546755 1.058056
H -4.646128 3.992142 0.705564
H -5.908790 3.471717 -0.413939


%chk=000222011-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222011

0 1
O 0.992498 -2.346840 -0.897897
N 0.064855 -0.367181 -0.122788
C 1.218402 0.379089 -0.684045
C -0.972918 0.418669 0.581112
C 2.416717 0.458729 0.289313
C -2.096493 0.931758 -0.351728
C 3.616420 1.211458 -0.327687
C -3.144930 1.787415 0.393988
C 0.040032 -1.748060 -0.296746
C -1.142067 -2.549762 0.290353
C 4.841631 1.274856 0.612866
C -4.268207 2.305393 -0.533436
C -0.736073 -3.078576 1.694764
C -1.497928 -3.718340 -0.656698
C 6.045978 2.005638 -0.019448
C -5.326357 3.144517 0.214668
H 1.539035 -0.138352 -1.605573
H 0.874153 1.396252 -0.955345
H -1.409270 -0.177927 1.401984
H -0.473486 1.283724 1.060104
H 2.106234 0.958034 1.230594
H 2.716903 -0.573922 0.549457
H -1.644757 1.524795 -1.172291
H -2.593832 0.064209 -0.830241
H 3.910556 0.711617 -1.273871
H 3.312720 2.244650 -0.600761
H -3.595976 1.189918 1.214228
H -2.644745 2.652442 0.878503
H -2.032160 -1.902361 0.397739
H 4.553195 1.780870 1.556945
H 5.137266 0.242971 0.890517
H -3.818231 2.911946 -1.345528
H -4.759276 1.442131 -1.026827
H 0.155466 -3.724824 1.605876
H -0.493069 -2.256765 2.394331
H -1.556324 -3.675078 2.134388
H -0.600672 -4.330096 -0.849322
H -1.867249 -3.349414 -1.630758
H -2.281227 -4.354326 -0.204571
H 6.370955 1.499807 -0.948108
H 5.785624 3.049204 -0.279976
H 6.910093 2.035032 0.669587
H -5.817759 2.548529 1.006729
H -4.865199 4.027118 0.696982
H -6.113329 3.507849 -0.471285


