%chk=000216147.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216147

0 1
O -0.001042 2.280763 0.145690
N -0.602418 0.276521 -0.862047
N -2.957139 0.579694 -0.396489
C 1.241186 0.179081 0.712605
C -1.897120 0.733209 -1.433920
C 0.866798 -1.199169 0.191278
C 0.173894 1.092486 0.021969
C -0.251140 -1.098959 -0.693557
C -3.250742 1.872105 0.302137
C -4.195737 -0.072737 -0.926003
C -4.213644 1.620836 1.472980
C -5.170406 -0.343813 0.233383
C -5.504660 0.947375 0.990705
C 2.653936 0.541304 0.297458
C 1.008348 0.299532 2.219667
C 1.431088 -2.431576 0.456109
C -0.805430 -2.223750 -1.292791
C 2.899272 1.265727 -0.878655
C 3.740146 0.114940 1.078603
C 0.878729 -3.575614 -0.153784
C -0.217781 -3.469133 -1.007368
C 4.210117 1.566809 -1.259933
C 5.048520 0.416890 0.693392
C 5.287705 1.144441 -0.476491
H -2.107658 0.119179 -2.340276
H -1.745726 1.793737 -1.760492
H -3.676419 2.637413 -0.381809
H -2.284554 2.279610 0.685084
H -3.903845 -1.037787 -1.394438
H -4.698892 0.538458 -1.706116
H -4.438847 2.576993 1.979148
H -3.716131 0.976875 2.225814
H -4.713137 -1.074761 0.931097
H -6.090229 -0.814658 -0.157232
H -6.162085 0.724101 1.851134
H -6.073964 1.636517 0.339045
H 1.647064 -0.389755 2.783825
H 1.220280 1.320045 2.568665
H -0.031611 0.065126 2.484884
H 2.288976 -2.522717 1.119505
H -1.663184 -2.153768 -1.952373
H 2.074363 1.606200 -1.504668
H 3.567527 -0.452471 1.991717
H 1.317655 -4.549885 0.048174
H -0.634314 -4.365342 -1.467039
H 4.389171 2.134021 -2.172193
H 5.883804 0.084279 1.307208
H 6.306771 1.380528 -0.774905


%chk=000216147-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216147

0 1
O 0.241766 2.452805 -0.030138
N -0.658588 0.311902 -0.474856
N -3.097452 0.414642 -0.497562
C 1.417840 0.348441 0.734254
C -1.847445 0.753072 -1.208212
C 0.939791 -1.085523 0.461961
C 0.308077 1.196228 0.037411
C -0.301078 -1.042578 -0.227020
C -3.273883 1.195172 0.756333
C -4.286807 0.501666 -1.383416
C -4.500110 0.691789 1.541234
C -5.544775 -0.017465 -0.656165
C -5.771465 0.753470 0.664669
C 2.823757 0.623118 0.161122
C 1.337433 0.693976 2.255279
C 1.507955 -2.325890 0.789377
C -1.006411 -2.207697 -0.578504
C 3.013620 1.340474 -1.046990
C 3.969494 0.110852 0.825535
C 0.821245 -3.516246 0.433394
C -0.422076 -3.453017 -0.239426
C 4.308451 1.530985 -1.580087
C 5.263745 0.300964 0.295489
C 5.440268 1.010462 -0.914380
H -1.873101 0.251225 -2.195120
H -1.711696 1.848608 -1.367346
H -3.396431 2.286303 0.531047
H -2.357942 1.088755 1.364482
H -4.093742 -0.103155 -2.290702
H -4.470557 1.556341 -1.719204
H -4.625558 1.302964 2.455332
H -4.317216 -0.353282 1.857526
H -5.408743 -1.094168 -0.436493
H -6.421709 0.082602 -1.324268
H -6.640445 0.338525 1.209155
H -6.008926 1.813141 0.435430
H 2.063798 0.100269 2.834881
H 1.550274 1.766696 2.402127
H 0.329856 0.471269 2.649468
H 2.474580 -2.383188 1.301041
H -1.982762 -2.149007 -1.066263
H 2.153467 1.776354 -1.564067
H 3.862288 -0.433100 1.770794
H 1.256278 -4.490055 0.682466
H -0.946108 -4.379959 -0.498361
H 4.431742 2.093049 -2.512805
H 6.132659 -0.102973 0.827518
H 6.444137 1.160080 -1.327243


