%chk=000188831.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188831

0 1
O -5.657988 -0.245940 0.779058
N -3.846946 -1.274243 -0.152137
C 0.478768 -0.446003 0.669713
C 2.655836 1.051604 0.715612
C 0.890654 -0.090161 2.138642
C 2.164544 0.781386 2.165598
C 0.326483 0.885023 -0.070730
C 1.706943 -1.117277 0.040220
C -0.763019 -1.352205 0.633627
C 1.498697 1.689082 -0.030393
C 2.873319 -0.305634 0.073312
C -1.959268 -0.825198 1.434454
C -0.795482 1.346280 -0.746939
C 1.771553 -2.385196 -0.523288
C 1.531140 2.934646 -0.642187
C 4.076750 -0.763396 -0.445372
C -3.246076 -1.618542 1.158585
C -0.761703 2.607183 -1.368226
C 2.990326 -2.847930 -1.050491
C 0.386298 3.394603 -1.314910
C 4.130410 -2.048186 -1.012038
C -5.034721 -0.538346 -0.227257
C -5.478318 -0.188625 -1.621536
H 3.567168 1.680077 0.711715
H 1.050640 -1.022767 2.706141
H 0.061355 0.444806 2.633234
H 1.964679 1.741341 2.673013
H 2.963695 0.280979 2.739797
H -1.052077 -1.509959 -0.424408
H -0.488815 -2.354765 1.022769
H -1.738148 -0.876337 2.519621
H -2.129046 0.251162 1.225390
H -1.703198 0.748871 -0.800701
H 0.896890 -3.029561 -0.566880
H 2.426954 3.549673 -0.608888
H 4.968101 -0.141550 -0.419816
H -3.996975 -1.406440 1.961445
H -3.051674 -2.713378 1.182502
H -1.643959 2.967288 -1.893548
H 3.037135 -3.841266 -1.492669
H 0.402964 4.370095 -1.796992
H 5.069118 -2.414569 -1.423006
H -3.279999 -1.453333 -0.970932
H -6.443368 0.343965 -1.580697
H -4.768828 0.472914 -2.133155
H -5.630410 -1.076776 -2.247853


%chk=000188831-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188831

0 1
O -5.277637 0.339909 0.599898
N -3.859740 -1.382679 -0.058920
C 0.452416 -0.426809 0.672287
C 2.666317 1.041347 0.672409
C 0.915771 -0.087022 2.152012
C 2.220463 0.769656 2.155879
C 0.304565 0.932971 -0.042512
C 1.669305 -1.116942 0.016167
C -0.819973 -1.307250 0.666461
C 1.492687 1.718522 -0.024855
C 2.852982 -0.325087 0.025395
C -1.992047 -0.815232 1.549601
C -0.844748 1.430821 -0.691877
C 1.703174 -2.406693 -0.553154
C 1.523321 2.989677 -0.628684
C 4.053598 -0.821461 -0.515713
C -3.304192 -1.594369 1.291432
C -0.813235 2.707594 -1.305215
C 2.909410 -2.905021 -1.106210
C 0.363483 3.489283 -1.270273
C 4.082724 -2.117973 -1.086147
C -4.820689 -0.412666 -0.313680
C -5.292197 -0.315822 -1.763778
H 3.584481 1.652737 0.639155
H 1.067905 -1.039286 2.693663
H 0.101926 0.459955 2.658453
H 2.052018 1.735322 2.665293
H 3.034911 0.245436 2.687391
H -1.166997 -1.412595 -0.382553
H -0.543591 -2.325179 1.009385
H -1.733348 -0.939807 2.619150
H -2.188822 0.260946 1.396778
H -1.765237 0.839359 -0.733728
H 0.803987 -3.030593 -0.580654
H 2.444583 3.584161 -0.609140
H 4.959257 -0.203361 -0.500974
H -4.075472 -1.258435 2.006375
H -3.140558 -2.680147 1.436656
H -1.708648 3.090683 -1.807677
H 2.930381 -3.905316 -1.553805
H 0.380578 4.476580 -1.745412
H 5.012181 -2.508177 -1.516001
H -3.527132 -1.963723 -0.828797
H -6.384899 -0.466613 -1.796714
H -5.092846 0.702349 -2.140404
H -4.810016 -1.045653 -2.437568


