%chk=000268831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268831

0 1
S -0.409895 1.900972 0.498571
S 2.758479 -1.022182 -1.011807
N 0.052350 -0.524164 -0.565854
C -0.317718 -1.987134 -0.447914
C -1.617082 -2.116788 0.381431
C -0.551743 -2.589026 -1.852256
C -2.042362 -3.584883 0.497936
C -0.977336 -4.059537 -1.744496
C -2.238124 -4.219259 -0.885318
C 0.178942 0.176118 0.725005
C 1.146128 -0.225160 -1.480372
C -2.155249 1.766513 0.291560
C 3.664102 0.174949 -0.091179
C -2.970056 2.403797 1.230841
C 3.406581 1.543972 -0.167521
C -2.695984 1.105227 -0.812221
C 4.699742 -0.326039 0.704988
C -4.357548 2.378888 1.054739
C 4.196937 2.429116 0.573494
C -4.085575 1.077401 -0.974314
C 5.487582 0.568142 1.435733
C -4.913894 1.714929 -0.044494
C 5.236390 1.943759 1.373341
H 0.503043 -2.556116 0.061974
H -1.478515 -1.685335 1.393385
H -2.423680 -1.520552 -0.090808
H -1.329012 -2.006491 -2.383515
H 0.364716 -2.520305 -2.468313
H -2.979668 -3.655263 1.081667
H -1.283723 -4.154604 1.068706
H -0.150989 -4.658667 -1.314498
H -1.155489 -4.469407 -2.756533
H -3.101166 -3.748620 -1.394367
H -2.491332 -5.290317 -0.779098
H -0.421296 -0.317357 1.522175
H 1.220008 0.276029 1.109152
H 0.924208 -0.617453 -2.498122
H 1.290798 0.876438 -1.571208
H -2.536457 2.916079 2.090160
H 2.601104 1.932101 -0.794095
H -2.043926 0.611088 -1.536762
H 4.896730 -1.396747 0.759651
H -5.004523 2.875423 1.775516
H 3.999958 3.499334 0.524211
H -4.520992 0.563090 -1.828915
H 6.298603 0.191155 2.057109
H -5.994407 1.695843 -0.176645
H 5.850440 2.635240 1.946880


%chk=000268831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268831

0 1
S -0.211630 1.941566 0.651410
S 2.988008 -1.123967 -1.202676
N 0.192531 -0.672343 -0.459473
C -0.437984 -2.029086 -0.341391
C -1.943707 -1.911822 0.013787
C -0.272496 -2.884297 -1.620464
C -2.581199 -3.305899 0.221288
C -0.903469 -4.285315 -1.423828
C -2.395569 -4.196905 -1.028754
C 0.334690 0.083810 0.770026
C 1.142010 -0.372489 -1.471869
C -2.036393 1.747733 0.478590
C 3.817513 0.236668 -0.280510
C -2.850550 1.654596 1.633630
C 3.864446 1.557512 -0.793683
C -2.626160 1.723416 -0.807637
C 4.466261 -0.061780 0.945347
C -4.252519 1.525488 1.500085
C 4.528315 2.574853 -0.070692
C -4.029700 1.599222 -0.937346
C 5.148943 0.954658 1.651596
C -4.844035 1.496523 0.214605
C 5.174651 2.278425 1.152262
H 0.072267 -2.580908 0.483913
H -2.087409 -1.294147 0.919797
H -2.455216 -1.377803 -0.810737
H -0.771333 -2.375077 -2.471056
H 0.797558 -2.999084 -1.876042
H -3.656186 -3.190840 0.458012
H -2.112490 -3.801371 1.097279
H -0.345619 -4.826139 -0.631787
H -0.784730 -4.873779 -2.353737
H -2.972691 -3.765601 -1.872685
H -2.802072 -5.210151 -0.845091
H -0.254852 -0.370489 1.578374
H 1.388889 0.187567 1.088909
H 0.871572 -0.783592 -2.451430
H 1.306994 0.714640 -1.535247
H -2.386886 1.694663 2.625260
H 3.402872 1.787022 -1.760555
H -1.987321 1.803663 -1.692622
H 4.431183 -1.083457 1.338596
H -4.879834 1.456457 2.395996
H 4.550846 3.594522 -0.471520
H -4.483753 1.584726 -1.934650
H 5.651261 0.712993 2.595293
H -5.931133 1.402640 0.112581
H 5.695227 3.067172 1.706448


