%chk=000197593.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197593

0 1
O -2.875131 -0.961726 -1.862450
O 6.270158 0.906899 -0.149066
O 4.300059 1.379598 -1.242176
N 2.073848 0.036322 -0.336608
N 2.518108 -1.407141 1.424196
N 4.406373 -0.151750 0.524097
C -2.869769 -1.085969 -0.416433
C -1.444295 -1.197989 0.093392
C 0.850475 -0.570270 0.016151
C -0.446438 -0.432518 -0.497033
C -3.537396 0.174360 0.097059
C 1.143251 -1.463119 1.109816
C -1.167153 -2.081365 1.171820
C 0.110174 -2.223064 1.687911
C 3.037084 -0.508909 0.550695
C -3.828919 0.280427 1.465510
C -3.868128 1.221308 -0.772259
C -4.451186 1.430686 1.956328
C -4.492529 2.369132 -0.275307
C -2.542995 -2.181329 -2.553473
C -4.784902 2.475683 1.087632
C 4.919366 0.780082 -0.386492
C 6.960653 1.850106 -1.021554
H -3.474015 -1.983650 -0.143788
H -0.672384 0.239537 -1.323936
H -1.984079 -2.659690 1.601989
H 0.330770 -2.895978 2.514915
H 2.240021 0.727447 -1.060253
H -3.563263 -0.525533 2.146905
H -3.639931 1.130239 -1.836724
H -4.675177 1.514049 3.018266
H -4.750466 3.180898 -0.953069
H -1.534547 -2.513680 -2.287672
H -2.588273 -1.875567 -3.605870
H -3.285650 -2.955769 -2.342151
H 5.018164 -0.606891 1.214912
H -5.270107 3.369868 1.473151
H 6.872275 1.522109 -2.062421
H 7.991071 1.780509 -0.652435
H 6.540982 2.852349 -0.886276


%chk=000197593-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197593

0 1
O -3.069793 -1.132526 -1.845125
O 6.270234 0.907260 -0.023764
O 4.209155 1.659226 -0.881493
N 2.061240 0.069680 -0.204879
N 2.602849 -1.752815 1.086152
N 4.397750 -0.283518 0.435173
C -2.918404 -1.044998 -0.376151
C -1.466388 -1.258481 0.053640
C 0.849605 -0.605464 0.027182
C -0.471162 -0.345074 -0.370183
C -3.501491 0.305696 0.053527
C 1.209204 -1.742985 0.836759
C -1.119664 -2.389662 0.849405
C 0.208111 -2.645924 1.253037
C 3.050440 -0.660379 0.446938
C -3.313244 0.758852 1.384166
C -4.271377 1.089865 -0.838961
C -3.888245 1.973618 1.817006
C -4.840039 2.310604 -0.407125
C -2.758669 -2.461220 -2.373367
C -4.654843 2.756025 0.921410
C 4.893644 0.833145 -0.215835
C 6.933161 2.063645 -0.669641
H -3.531936 -1.856920 0.082573
H -0.745640 0.519215 -0.983553
H -1.915039 -3.080455 1.156089
H 0.465644 -3.514347 1.866058
H 2.253511 0.925992 -0.732300
H -2.706327 0.164786 2.078012
H -4.410367 0.735166 -1.863460
H -3.735192 2.311111 2.848508
H -5.430308 2.911692 -1.108583
H -1.692766 -2.723934 -2.223894
H -2.981421 -2.415452 -3.451042
H -3.390490 -3.241170 -1.896638
H 5.040396 -0.889996 0.948820
H -5.099178 3.700718 1.255183
H 6.783365 2.028490 -1.761435
H 7.995114 1.952335 -0.411783
H 6.524660 3.007899 -0.273125


