%chk=000199286.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199286

0 1
O 3.952862 -1.936679 0.651358
N -0.792005 0.149686 0.293556
N 2.068778 0.075369 -0.168911
N -5.183967 0.385061 -1.216827
C -0.199610 0.573071 -1.017692
C 0.062938 -0.921365 0.905360
C 1.214347 1.142305 -0.782089
C 1.482698 -0.372487 1.140300
C -2.202779 -0.328995 0.122623
C 3.473210 0.372182 -0.083898
C -3.125789 0.898027 -0.007078
C 4.381545 -0.675838 0.234283
C 4.024281 1.630299 -0.387697
C -4.568474 0.474286 -0.003905
C 5.763456 -0.472615 0.253042
C 5.408333 1.831104 -0.377765
C 6.279220 0.790026 -0.052255
C -5.243680 0.183291 1.200325
C -6.582281 -0.206031 1.145025
C -6.487828 0.004553 -1.251487
C 3.415208 -2.762832 -0.416714
C -7.222561 -0.300122 -0.095275
H -0.843979 1.367406 -1.453427
H -0.153387 -0.255037 -1.758585
H 0.113791 -1.841812 0.284169
H -0.379377 -1.204954 1.884772
H 1.655757 1.436321 -1.758893
H 1.147987 2.053438 -0.146834
H 1.451065 0.455713 1.881513
H 2.129810 -1.177634 1.564163
H -2.340350 -0.998612 -0.754093
H -2.495153 -0.915409 1.021296
H -2.888222 1.456501 -0.939277
H -2.924283 1.610176 0.821127
H 3.377935 2.472608 -0.624994
H 6.418266 -1.303864 0.510330
H 5.806336 2.815581 -0.619976
H 7.354044 0.955533 -0.037965
H -4.725433 0.265962 2.152146
H -7.125866 -0.434455 2.061696
H -6.942144 -0.051912 -2.247530
H 2.552863 -2.274234 -0.883506
H 3.121888 -3.670547 0.119941
H 4.200105 -2.967675 -1.148819
H -8.264054 -0.600090 -0.164535


%chk=000199286-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199286

0 1
O 3.944971 -2.016024 0.516011
N -0.763454 0.148719 0.443133
N 2.098244 0.175825 -0.036301
N -4.928797 -0.017912 -1.151411
C -0.196075 0.656302 -0.829198
C 0.112152 -0.918256 0.989298
C 1.222265 1.214308 -0.617963
C 1.532681 -0.383519 1.224370
C -2.177082 -0.280300 0.318808
C 3.507112 0.366903 -0.099072
C -3.155190 0.924188 0.257299
C 4.411905 -0.713871 0.178316
C 4.086560 1.616234 -0.466352
C -4.588679 0.461989 0.090237
C 5.805947 -0.520985 0.155130
C 5.485840 1.795703 -0.519753
C 6.357023 0.734227 -0.190306
C -5.521009 0.494794 1.159438
C -6.837330 0.027362 0.947606
C -6.202318 -0.468228 -1.340735
C 3.298296 -2.730479 -0.607027
C -7.190417 -0.466024 -0.329158
H -0.838596 1.464305 -1.221811
H -0.154393 -0.152623 -1.603421
H 0.163515 -1.800912 0.300591
H -0.306141 -1.262612 1.953322
H 1.632052 1.526493 -1.595337
H 1.160547 2.112939 0.040275
H 1.491285 0.412355 2.002393
H 2.189521 -1.192777 1.580360
H -2.348790 -0.921164 -0.580390
H -2.424049 -0.891775 1.208036
H -2.893987 1.562377 -0.606259
H -3.036203 1.524760 1.176004
H 3.435753 2.468818 -0.682573
H 6.442555 -1.379967 0.392610
H 5.891442 2.774332 -0.800536
H 7.442900 0.873024 -0.212624
H -5.214593 0.885540 2.135593
H -7.572009 0.049535 1.759877
H -6.431333 -0.839856 -2.346768
H 2.434151 -2.157220 -0.991108
H 2.968820 -3.696432 -0.193477
H 4.029385 -2.898942 -1.420894
H -8.198979 -0.835856 -0.539239


