%chk=000212929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212929

0 1
N -0.282114 -0.194331 -0.533744
N -3.415723 2.600006 -0.179186
N 5.314471 1.568267 0.104643
C -1.212888 0.849666 -0.350116
C -2.464353 0.315658 -0.067524
C -0.953247 2.306587 -0.468275
C -3.678075 1.150358 0.139696
C -2.066423 3.061142 0.294492
C -2.336350 -1.116371 -0.031607
C -0.956074 -1.417895 -0.306600
C 1.166113 -0.044691 -0.730035
C -4.489173 3.476577 0.401323
C -3.238216 -2.168336 0.202034
C -0.487279 -2.743600 -0.341551
C 1.915703 -0.030793 0.618907
C -2.771389 -3.476744 0.167172
C -1.401104 -3.755065 -0.102917
C -5.823135 3.220193 -0.300833
C 3.389571 0.112028 0.396906
C -3.698492 -4.625868 0.411020
C 4.219321 -1.012247 0.257802
C 3.986277 1.385233 0.313277
C 5.585050 -0.840578 0.044546
C 6.109078 0.469003 -0.028745
C 7.565545 0.704377 -0.256107
H 0.038259 2.596502 -0.075398
H -0.974680 2.600304 -1.542104
H -4.481300 0.820630 -0.562510
H -4.061865 0.997812 1.174300
H -1.923158 2.925017 1.387957
H -1.978699 4.147660 0.079173
H 1.368176 0.893480 -1.295347
H 1.536782 -0.882163 -1.365968
H -4.605898 3.349052 1.499634
H -4.189755 4.535478 0.230727
H -4.281722 -1.943914 0.403053
H 0.554542 -2.961036 -0.550912
H 1.529157 0.788611 1.260291
H 1.686626 -0.958695 1.185741
H -1.073986 -4.792761 -0.121372
H -5.689573 3.182672 -1.391593
H -6.275106 2.270081 0.002074
H -6.541166 4.016776 -0.080453
H -4.725404 -4.302292 0.622266
H -3.743784 -5.290643 -0.462877
H -3.367802 -5.229493 1.267327
H 3.797032 -2.015351 0.318212
H 3.391549 2.300112 0.416836
H 6.242562 -1.699258 -0.063493
H 7.806247 1.780396 -0.294838
H 8.171836 0.267435 0.549674
H 7.899432 0.264312 -1.205978


%chk=000212929-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212929

0 1
N -0.295749 -0.156638 -0.391458
N -3.446535 2.600337 -0.150237
N 5.433434 1.534940 0.184770
C -1.235377 0.879160 -0.205288
C -2.490072 0.335882 0.052369
C -0.958009 2.352120 -0.287310
C -3.714518 1.190608 0.254088
C -2.146875 3.095532 0.372049
C -2.348935 -1.104464 0.047249
C -0.962086 -1.385023 -0.226657
C 1.142742 0.005766 -0.604626
C -4.565982 3.511530 0.195428
C -3.247323 -2.187586 0.237347
C -0.475311 -2.707230 -0.304853
C 1.963356 -0.015742 0.724067
C -2.778777 -3.517115 0.160166
C -1.393978 -3.758426 -0.110167
C -5.878133 3.166361 -0.533357
C 3.452208 0.098702 0.462178
C -3.722450 -4.693312 0.358032
C 4.251114 -1.035062 0.160647
C 4.108588 1.354777 0.459356
C 5.621483 -0.871459 -0.122935
C 6.191051 0.430857 -0.108342
C 7.658753 0.660334 -0.405392
H -0.019360 2.631397 0.233530
H -0.861366 2.680266 -1.341676
H -4.551546 0.803478 -0.356792
H -4.049851 1.140002 1.326230
H -2.073863 2.980096 1.484846
H -2.075844 4.175189 0.145949
H 1.324185 0.958904 -1.132494
H 1.500633 -0.801718 -1.270048
H -4.752749 3.529492 1.302647
H -4.257146 4.534440 -0.093884
H -4.307502 -1.996447 0.444052
H 0.578235 -2.924282 -0.515017
H 1.617612 0.818002 1.363647
H 1.732770 -0.954454 1.261517
H -1.040606 -4.795577 -0.168136
H -5.702545 3.096050 -1.621397
H -6.308310 2.209660 -0.188227
H -6.631725 3.953781 -0.348895
H -4.751800 -4.353349 0.566872
H -3.759378 -5.338690 -0.540571
H -3.402957 -5.332580 1.203317
H 3.802863 -2.036484 0.160622
H 3.547943 2.268913 0.697464
H 6.253350 -1.736664 -0.350973
H 7.873389 1.739743 -0.380847
H 8.302288 0.155860 0.339832
H 7.936057 0.263422 -1.399693


