%chk=000214789.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214789

0 1
O -3.490981 -1.372868 -1.890193
O 0.001216 -1.351425 -2.567126
O 5.691264 -0.000889 -0.091247
N -3.095529 1.097701 -0.446469
N 4.416995 0.717151 1.631993
C -3.546515 1.528602 0.922002
C -2.059322 0.026620 -0.476332
C -2.214674 -0.715094 -1.820714
C -4.525471 2.700331 0.706606
C -4.276279 0.354752 1.597121
C -2.369756 1.998123 1.804465
C -1.224552 -1.879576 -1.995432
C 1.045812 -1.020129 -1.743771
C 1.107071 -1.264820 -0.364302
C 2.113671 -0.408575 -2.438437
C 3.317091 -0.260187 -0.334937
C 2.256660 -0.883843 0.331158
C 3.246745 -0.043678 -1.727241
C 4.568905 0.140891 0.365043
H -2.766971 1.906369 -0.985658
H -1.022698 0.410986 -0.370097
H -2.227363 -0.686856 0.361497
H -2.143818 -0.013055 -2.684079
H -5.327838 2.422779 0.011030
H -4.998905 2.995751 1.648496
H -4.030666 3.586944 0.298929
H -3.613054 -0.500664 1.765605
H -5.107071 -0.000658 0.974823
H -4.690289 0.648738 2.566377
H -1.795945 2.797613 1.326875
H -2.729535 2.389098 2.762392
H -1.677768 1.182853 2.032758
H -1.574852 -2.568150 -2.794369
H -1.040996 -2.454692 -1.076457
H -4.189040 -0.769906 -1.529277
H 0.293240 -1.764854 0.152963
H 2.033508 -0.250388 -3.512531
H 2.325423 -1.091082 1.400727
H 4.099791 0.411115 -2.240731
H 3.530486 1.001361 2.002174
H 5.234210 1.048509 2.122167


%chk=000214789-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214789

0 1
O -3.560376 -1.438249 -1.637811
O 0.026704 -1.172518 -2.575921
O 5.487543 0.933486 0.112714
N -3.388522 0.977518 -0.514368
N 4.805588 -0.426356 1.856573
C -3.641510 1.577956 0.844238
C -2.085024 0.305110 -0.772274
C -2.325113 -0.709250 -1.923437
C -5.014171 2.287711 0.750444
C -3.721455 0.447886 1.899652
C -2.542193 2.605345 1.238865
C -1.233013 -1.776404 -2.093327
C 1.077972 -0.886507 -1.700039
C 1.097998 -1.168725 -0.309615
C 2.204961 -0.271780 -2.309240
C 3.377979 -0.242942 -0.149899
C 2.245372 -0.849511 0.447742
C 3.331991 0.049985 -1.540276
C 4.623897 0.137197 0.598923
H -3.587936 1.677057 -1.246700
H -1.256019 0.997675 -1.024743
H -1.802012 -0.247507 0.140446
H -2.417437 -0.151326 -2.882967
H -5.803637 1.567460 0.471407
H -5.281893 2.745158 1.719076
H -4.995645 3.093933 -0.008679
H -2.749415 -0.057130 2.045302
H -4.463796 -0.310737 1.594913
H -4.024604 0.865934 2.876356
H -2.498827 3.437049 0.510184
H -2.747495 3.036771 2.235950
H -1.544948 2.130150 1.276643
H -1.539045 -2.471478 -2.891738
H -1.094806 -2.352780 -1.161414
H -4.098686 -0.748167 -1.128337
H 0.242397 -1.629345 0.191404
H 2.166163 -0.062037 -3.382291
H 2.219941 -1.053362 1.525190
H 4.203121 0.536401 -1.990731
H 4.203466 -1.155145 2.231838
H 5.644690 -0.163630 2.371746


