%chk=000229112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229112

0 1
N 1.479180 0.352809 -0.220171
N 0.002299 -1.351416 0.462738
C -0.903022 0.976169 0.045334
C -1.420302 1.200757 -1.360506
C -0.451128 2.249386 0.731786
C 0.191791 -0.108162 0.118449
C -2.580838 1.981281 -1.517009
C -0.398902 2.273400 2.135509
C -0.809463 0.645062 -2.491113
C -0.074120 3.388018 0.006270
C 2.708004 -0.380292 -0.189456
C -3.114825 2.202316 -2.786583
C 0.021251 3.426594 2.801373
C -1.350528 0.868869 -3.762499
C 0.343366 4.540775 0.678415
C -1.262549 -1.937763 0.743171
C -2.500543 1.645908 -3.914815
C 0.392616 4.563337 2.074907
C 3.893739 0.387047 -0.166320
C 2.785060 -1.782907 -0.239386
C 5.217520 -1.648953 -0.245905
C 5.133343 -0.249340 -0.196930
C 4.033305 -2.403060 -0.265305
C -2.310804 -1.959260 -0.195226
C -1.404284 -2.613738 1.973076
C -3.639623 -3.315180 1.322357
C -3.488693 -2.648029 0.098278
C -2.586370 -3.293017 2.254102
C 6.543762 -2.337372 -0.273852
C -4.898775 -4.055125 1.640372
H -1.783583 0.577993 0.638745
H 1.579688 1.367319 -0.321400
H -3.061879 2.419646 -0.643173
H -0.680983 1.390342 2.708647
H 0.087552 0.030546 -2.401034
H -0.116201 3.384432 -1.083694
H -4.012779 2.808058 -2.899647
H 0.060304 3.439674 3.890026
H -0.868474 0.430783 -4.635876
H 0.629636 5.424116 0.108932
H -2.918980 1.817480 -4.904373
H 0.718158 5.461488 2.596254
H 3.851651 1.472584 -0.120969
H 1.878611 -2.394664 -0.250808
H 6.041748 0.350421 -0.179334
H 4.085119 -3.490745 -0.300973
H -2.198003 -1.455942 -1.154579
H -0.582536 -2.608033 2.688040
H -4.293419 -2.665650 -0.634781
H -2.693966 -3.815357 3.203255
H 6.676768 -2.975956 0.611130
H 6.640254 -2.981472 -1.159147
H 7.385909 -1.634540 -0.293536
H -5.306373 -3.757353 2.616137
H -5.688119 -3.886655 0.896966
H -4.717872 -5.139231 1.678634


%chk=000229112-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229112

0 1
N 1.472399 0.314500 -0.065959
N -0.025219 -1.396254 0.558251
C -0.905850 0.950674 0.097690
C -1.396483 1.173324 -1.343403
C -0.459449 2.250837 0.791607
C 0.188528 -0.148528 0.210589
C -2.594616 1.910512 -1.539674
C -0.496790 2.323598 2.209072
C -0.716339 0.672474 -2.480697
C 0.025434 3.369711 0.065570
C 2.711973 -0.374947 -0.136925
C -3.100529 2.141186 -2.836052
C -0.058006 3.481717 2.885075
C -1.220981 0.903242 -3.782700
C 0.468165 4.530412 0.742120
C -1.297404 -1.974680 0.786405
C -2.412958 1.637941 -3.966654
C 0.429774 4.590823 2.153235
C 3.870287 0.402887 -0.411543
C 2.852187 -1.778878 0.036195
C 5.293636 -1.607266 -0.346617
C 5.135920 -0.207595 -0.513047
C 4.128329 -2.368460 -0.072229
C -2.351860 -1.970996 -0.170618
C -1.495672 -2.691279 2.002193
C -3.774759 -3.340368 1.313774
C -3.563279 -2.646520 0.096605
C -2.714115 -3.347109 2.260459
C 6.657392 -2.268411 -0.452886
C -5.075022 -4.075204 1.593333
H -1.761958 0.549399 0.674650
H 1.537734 1.331119 -0.172811
H -3.130738 2.304353 -0.667503
H -0.869385 1.464887 2.781557
H 0.206201 0.095155 -2.356604
H 0.029007 3.343933 -1.030619
H -4.029043 2.708714 -2.965478
H -0.096880 3.521917 3.979443
H -0.682449 0.504381 -4.649755
H 0.835081 5.387623 0.166212
H -2.804541 1.813530 -4.974823
H 0.769191 5.491203 2.677150
H 3.778453 1.489193 -0.544993
H 1.964394 -2.372120 0.260191
H 6.014309 0.413797 -0.725315
H 4.217924 -3.453942 0.063085
H -2.210217 -1.462779 -1.130299
H -0.675921 -2.719800 2.727910
H -4.357463 -2.634032 -0.660294
H -2.844484 -3.882863 3.209510
H 6.949164 -2.748362 0.500773
H 6.664860 -3.058064 -1.227862
H 7.442098 -1.536485 -0.712154
H -5.502616 -3.784944 2.571428
H -5.832582 -3.864133 0.818577
H -4.922136 -5.171626 1.619355


