%chk=000227536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227536

0 1
N 2.241977 0.389757 -0.462769
N -2.467348 -0.259199 -0.564499
N -0.111944 0.096044 -0.405670
N -1.160296 -2.121771 0.000642
N 0.533430 -3.900327 0.415031
N 1.910004 -3.975641 0.472959
C 2.122055 1.863741 -0.657481
C -2.728702 1.206987 -0.633798
C 1.997499 2.594881 0.695890
C 3.341130 2.359041 -1.462611
C -4.035345 1.432628 -1.423278
C -2.799523 1.839776 0.772777
C 3.303744 2.587342 1.496626
C 4.639230 2.372492 -0.646094
C 4.470033 3.143848 0.669457
C -5.291619 1.043671 -0.634193
C -4.057010 1.426332 1.544335
C -5.329020 1.725298 0.739965
C 1.148873 -0.429973 -0.276058
C -1.204603 -0.769125 -0.301017
C 1.320760 -1.816224 0.012157
C 0.114869 -2.600793 0.134021
C 2.397107 -2.739484 0.232415
C -0.303186 -5.087578 0.631356
H 1.186767 2.054047 -1.255493
H -1.875421 1.678371 -1.196886
H 1.181519 2.135716 1.289150
H 1.679941 3.638112 0.505484
H 3.121648 3.382981 -1.825270
H 3.471170 1.739986 -2.371750
H -3.999875 0.871577 -2.377891
H -4.089371 2.503062 -1.703047
H -2.769122 2.940972 0.666859
H -1.891530 1.567012 1.346372
H 3.534880 1.558728 1.833290
H 3.178423 3.184136 2.420208
H 5.450005 2.827720 -1.247038
H 4.969022 1.337555 -0.435714
H 4.297575 4.216199 0.454638
H 5.405978 3.097537 1.256953
H -5.337613 -0.055324 -0.509964
H -6.193505 1.316884 -1.214705
H -4.091039 1.956199 2.515034
H -4.010378 0.348130 1.791735
H -5.442535 2.819005 0.612360
H -6.219609 1.389404 1.303155
H 3.160083 0.037181 -0.206304
H -3.263594 -0.853332 -0.323633
H 3.452583 -2.526591 0.216339
H -0.065685 -5.871265 -0.111451
H -0.132619 -5.505787 1.640237
H -1.371311 -4.813137 0.532567


%chk=000227536-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227536

0 1
N 2.212833 0.389475 -0.407150
N -2.443164 -0.295902 -0.456945
N -0.114197 0.033078 -0.402876
N -1.139106 -2.188749 -0.052054
N 0.533602 -3.951017 0.317810
N 1.936213 -4.067324 0.382936
C 2.079589 1.843280 -0.651798
C -2.722333 1.126356 -0.734395
C 1.862822 2.630424 0.671993
C 3.333916 2.362665 -1.397814
C -4.112037 1.259711 -1.406879
C -2.653506 1.996420 0.553443
C 3.123830 2.630362 1.566524
C 4.600352 2.372091 -0.504384
C 4.359098 3.167458 0.801913
C -5.282632 0.968795 -0.432829
C -3.811473 1.685342 1.529056
C -5.187497 1.847251 0.838383
C 1.147554 -0.470985 -0.280183
C -1.185969 -0.834790 -0.295636
C 1.337941 -1.873251 -0.029349
C 0.136580 -2.648237 0.072142
C 2.406899 -2.806454 0.172242
C -0.315783 -5.122394 0.497578
H 1.182252 1.969415 -1.283725
H -1.936296 1.476191 -1.428972
H 0.996748 2.197922 1.205295
H 1.596377 3.675404 0.409924
H 3.126555 3.400501 -1.725679
H 3.501711 1.762397 -2.312868
H -4.164388 0.596603 -2.292295
H -4.209711 2.299817 -1.776273
H -2.702039 3.063493 0.250855
H -1.671744 1.837460 1.035602
H 3.326221 1.597342 1.917057
H 2.941634 3.238877 2.472981
H 5.448351 2.805334 -1.068450
H 4.905021 1.334359 -0.248136
H 4.193021 4.235238 0.548237
H 5.258413 3.127453 1.446455
H -5.283199 -0.101654 -0.136629
H -6.245772 1.142165 -0.950579
H -3.747835 2.346933 2.414514
H -3.705514 0.645903 1.901357
H -5.328875 2.910970 0.553696
H -6.004482 1.591670 1.540731
H 3.149647 -0.001371 -0.310002
H -3.213381 -0.958655 -0.362635
H 3.485096 -2.647980 0.177750
H -0.089677 -5.884331 -0.267931
H -0.160710 -5.563488 1.497218
H -1.362452 -4.794774 0.396170


