%chk=000214043.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214043

0 1
O -5.430605 -1.829097 -0.366188
O 4.535754 -2.873056 -0.326201
O 6.226016 3.126188 -1.215875
N 0.907735 -1.064968 0.840605
N -1.937249 -1.309645 0.303607
C 0.175612 -2.351972 1.081330
C -0.029562 0.089825 1.048303
C -1.005857 -2.466872 0.097289
C -1.206858 -0.022948 0.059834
C 2.099116 -0.934866 1.745123
C -3.148263 -1.418361 -0.566730
C 3.206554 -1.919425 1.346725
C -4.379094 -1.090958 0.313022
C 3.609724 -1.775116 -0.128241
C -4.698694 0.387427 0.341298
C 4.280212 -0.456538 -0.435283
C -4.253940 1.175137 1.412193
C -5.426124 0.976794 -0.702077
C 5.648535 -0.272433 -0.164883
C 3.529462 0.593560 -0.973639
C -6.642053 -1.969442 0.398173
C -4.535127 2.544227 1.435699
C -5.707958 2.344659 -0.673771
C 6.266931 0.939775 -0.441777
C 4.125468 1.826928 -1.258621
C -5.262142 3.130342 0.394515
C 5.490498 1.982739 -0.991045
C 5.545267 4.268252 -1.788002
H -0.196722 -2.446287 2.124735
H 0.881100 -3.192680 0.903763
H 0.525294 1.031185 0.849191
H -0.419868 0.146959 2.087830
H -0.620232 -2.530358 -0.943471
H -1.564202 -3.404753 0.305464
H -1.915152 0.817607 0.229794
H -0.829484 0.067167 -0.982171
H 2.490104 0.104411 1.646474
H 1.847961 -1.079903 2.818252
H -3.123229 -0.758766 -1.458117
H -3.283394 -2.450720 -0.963918
H 4.093878 -1.763850 1.992164
H 2.895750 -2.969259 1.523098
H -4.256514 -1.503673 1.340220
H 2.738058 -1.954362 -0.801560
H -3.684457 0.720512 2.222521
H -5.773810 0.351992 -1.526709
H 4.926135 -2.831339 -1.218594
H 6.221160 -1.098066 0.265139
H 2.462874 0.452817 -1.167345
H -6.452372 -2.541006 1.311220
H -7.069242 -0.988119 0.627110
H -7.293199 -2.529021 -0.283748
H -4.189419 3.154334 2.267941
H -6.274973 2.799072 -1.484053
H 7.323420 1.103898 -0.245607
H 3.531708 2.630814 -1.677266
H -5.481927 4.195598 0.415909
H 4.756817 4.617077 -1.115322
H 6.358145 5.003152 -1.855599
H 5.156837 4.021811 -2.780227


%chk=000214043-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214043

0 1
O -5.513073 -1.637120 -0.882052
O 4.714275 -2.852874 0.225843
O 5.961983 3.229771 -1.515391
N 0.841598 -0.992681 0.889679
N -1.919289 -1.348858 0.082492
C 0.119536 -2.261155 1.155622
C -0.111177 0.146732 0.871822
C -0.976136 -2.490210 0.099776
C -1.205057 -0.078843 -0.182521
C 1.971902 -0.751645 1.824432
C -3.129489 -1.553147 -0.741814
C 3.143610 -1.737577 1.645077
C -4.432931 -1.227549 0.036529
C 3.684548 -1.785898 0.201388
C -4.553071 0.236454 0.447059
C 4.265560 -0.460176 -0.277703
C -4.254161 0.643360 1.770124
C -4.935703 1.216263 -0.505204
C 5.564880 -0.047304 0.126624
C 3.518604 0.393962 -1.120960
C -6.832587 -1.658212 -0.246975
C -4.323470 2.007649 2.135971
C -5.011999 2.578402 -0.140920
C 6.097698 1.181638 -0.300512
C 4.036905 1.635631 -1.557605
C -4.702239 2.979623 1.181126
C 5.334047 2.028254 -1.144768
C 5.216250 4.140038 -2.385914
H -0.353779 -2.251655 2.170978
H 0.834651 -3.102499 1.120644
H 0.450317 1.069408 0.631606
H -0.601268 0.288817 1.868496
H -0.484018 -2.640277 -0.894911
H -1.533804 -3.412199 0.348144
H -1.926785 0.755272 -0.146479
H -0.731236 -0.084859 -1.197871
H 2.336941 0.275759 1.635911
H 1.633824 -0.786540 2.892332
H -3.112337 -0.945507 -1.673265
H -3.202386 -2.612379 -1.051077
H 3.965196 -1.438792 2.323759
H 2.853556 -2.765537 1.932143
H -4.450963 -1.866113 0.947779
H 2.853374 -2.075069 -0.473932
H -3.956109 -0.109040 2.509878
H -5.186060 0.895210 -1.523230
H 5.145281 -2.887456 -0.666233
H 6.155617 -0.706178 0.772817
H 2.510963 0.088117 -1.428775
H -6.847878 -2.350503 0.621407
H -7.141063 -0.649423 0.093164
H -7.534077 -2.019099 -1.016029
H -4.086845 2.310878 3.162366
H -5.313110 3.327015 -0.882938
H 7.098310 1.508459 -0.000393
H 3.433116 2.272793 -2.211012
H -4.760699 4.036748 1.464435
H 4.277921 4.480404 -1.905507
H 5.884489 4.999487 -2.543263
H 4.982249 3.666632 -3.359665


