%chk=000218683.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218683

0 1
N 1.383448 -1.883582 -1.092654
N -0.967167 1.101070 -0.893286
N 4.542567 0.784146 0.091207
C 1.144876 -0.401706 -1.101538
C -0.263128 -0.098516 -0.674178
C -1.086565 -1.005259 -0.009263
C 0.874940 -2.546652 0.152670
C -0.661146 -2.382941 0.338386
C -2.350241 -0.361609 0.214860
C -2.249117 0.965713 -0.335933
C 2.189365 0.257951 -0.220217
C 1.260538 -4.026630 0.102661
C -0.413848 2.324521 -1.480574
C -3.557382 -0.761486 0.821867
C -3.328048 1.875467 -0.276086
C 1.879513 0.902110 0.982283
C 3.543628 0.208815 -0.620722
C -4.608248 0.134707 0.874565
C -4.491740 1.442960 0.329555
C 2.903280 1.497220 1.726711
C 4.219706 1.422426 1.248236
H 1.300976 -0.045642 -2.159266
H 1.393282 -2.055374 1.018707
H -0.936975 -2.626048 1.383421
H -1.212932 -3.111723 -0.290435
H 0.935801 -2.302145 -1.917059
H 1.006704 -4.532364 1.040179
H 0.762729 -4.564515 -0.711020
H 2.343097 -4.139669 -0.052087
H -1.191893 2.873544 -2.040696
H -0.010976 2.994887 -0.698009
H 0.406048 2.091142 -2.182292
H -3.643308 -1.762938 1.236923
H -3.237277 2.872935 -0.691090
H 0.849817 0.937035 1.344780
H 3.841731 -0.321181 -1.534411
H -5.549429 -0.151298 1.338735
H -5.349360 2.111040 0.398659
H 2.683522 2.003175 2.663267
H 5.054011 1.875715 1.794445


%chk=000218683-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218683

0 1
N 1.366651 -1.890699 -1.072592
N -0.961322 1.117771 -0.807662
N 4.598778 0.829536 0.007961
C 1.133168 -0.412185 -1.075199
C -0.285293 -0.109716 -0.637006
C -1.122748 -1.029079 -0.002235
C 0.856333 -2.586879 0.146596
C -0.689863 -2.439802 0.319397
C -2.389378 -0.363440 0.224617
C -2.259834 0.977363 -0.292717
C 2.212391 0.280510 -0.224250
C 1.291874 -4.060495 0.105300
C -0.448252 2.319717 -1.466605
C -3.619939 -0.758340 0.811500
C -3.319725 1.909025 -0.242918
C 1.939714 0.916020 1.009494
C 3.559783 0.264948 -0.671419
C -4.679356 0.169456 0.867792
C -4.531242 1.488205 0.345502
C 3.003835 1.499563 1.736264
C 4.308573 1.436288 1.200475
H 1.281735 -0.083094 -2.125722
H 1.345848 -2.091933 1.008708
H -0.969454 -2.715273 1.356339
H -1.205395 -3.167610 -0.344356
H 0.971840 -2.319422 -1.924093
H 0.931301 -4.601451 0.999130
H 0.875037 -4.570324 -0.785643
H 2.391446 -4.137733 0.062352
H -0.896054 2.457377 -2.469682
H -0.670426 3.214885 -0.858167
H 0.645346 2.249633 -1.572934
H -3.746562 -1.770301 1.213142
H -3.216843 2.922401 -0.646448
H 0.913448 0.949839 1.392760
H 3.817543 -0.237297 -1.611627
H -5.635063 -0.122483 1.317408
H -5.374220 2.186199 0.401292
H 2.827557 1.993234 2.697410
H 5.159567 1.880885 1.729138


