%chk=000201963.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201963

0 1
N -0.421208 -3.060069 -0.370044
N 2.377303 -2.536710 0.174399
N -2.543825 -0.410048 -0.737252
N -3.753289 -2.141373 0.453951
N -2.484272 1.805169 0.250459
N -3.642501 0.130054 1.384287
N -4.907519 -1.563570 2.443632
C 0.402297 -2.216376 -1.295270
C 0.451655 -4.092555 0.281511
C 1.515178 -1.512309 -0.494167
C 1.557394 -3.387038 1.092206
C -1.563459 -3.727853 -1.075448
C 3.663755 -2.130397 0.623990
C -2.562818 -2.696855 -1.632140
C 4.316728 -1.022208 0.032457
C 4.367150 -2.900337 1.581337
C -2.970007 -1.706785 -0.575589
C 5.627505 -0.710735 0.385517
C 5.677819 -2.571133 1.919780
C 6.317842 -1.476644 1.330436
C -2.882938 0.474577 0.269970
C -4.073690 -1.183209 1.414529
C -1.632605 2.441957 -0.708704
C -0.884576 3.597862 -0.253673
C -0.081900 4.288006 -1.199275
C -1.551595 2.024133 -2.021465
C -0.908759 4.068342 1.096914
C -0.016703 3.830099 -2.553425
C -0.730175 2.726363 -2.944015
C 0.662598 5.438090 -0.781433
C -0.182831 5.171212 1.473442
C 0.612104 5.869073 0.519899
H -0.259643 -1.434299 -1.735467
H 0.846182 -2.796640 -2.131890
H 0.912687 -4.793583 -0.448378
H -0.174698 -4.694473 0.974737
H 1.061851 -0.815272 0.247000
H 2.133375 -0.901369 -1.190148
H 1.100804 -2.780788 1.907047
H 2.206666 -4.155382 1.569597
H -1.240922 -4.397515 -1.901993
H -2.090531 -4.359969 -0.320877
H -3.465016 -3.229376 -2.006625
H -2.130082 -2.162316 -2.506517
H 3.802650 -0.415197 -0.710070
H 3.893621 -3.761873 2.046869
H 6.118781 0.143115 -0.080683
H 6.208436 -3.175493 2.655159
H 7.337708 -1.225063 1.601876
H -2.758346 2.364480 1.071710
H -2.107849 1.152408 -2.376934
H -1.506465 3.536410 1.838286
H 0.608003 4.373048 -3.259812
H -0.687194 2.367354 -3.972645
H 1.269313 5.960519 -1.520072
H -0.200958 5.526328 2.502681
H -5.060485 -0.937201 3.218820
H -5.125528 -2.540413 2.569377
H 1.175980 6.742728 0.844132


%chk=000201963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201963

0 1
N -0.419367 -3.160676 -0.383462
N 2.390557 -2.701915 0.172833
N -2.415236 -0.392664 -0.658395
N -3.742356 -2.038626 0.533751
N -2.212817 1.784346 0.347265
N -3.475176 0.205905 1.455945
N -4.768462 -1.415507 2.547279
C 0.437772 -2.428749 -1.344492
C 0.386218 -4.170077 0.341662
C 1.610151 -1.736672 -0.626046
C 1.541674 -3.492060 1.094554
C -1.636710 -3.748939 -0.985151
C 3.731373 -2.404887 0.523229
C -2.614260 -2.683126 -1.545515
C 4.338342 -1.156744 0.181461
C 4.544184 -3.368470 1.198893
C -2.949284 -1.645600 -0.500557
C 5.692133 -0.899836 0.486442
C 5.890905 -3.095468 1.506543
C 6.485121 -1.860620 1.151977
C -2.701435 0.490191 0.353197
C -3.973310 -1.065264 1.488286
C -1.393772 2.483898 -0.571553
C -1.010470 3.843529 -0.223709
C -0.193868 4.590085 -1.161768
C -0.960581 1.917766 -1.782854
C -1.393540 4.491212 0.999330
C 0.224838 3.981430 -2.389804
C -0.153078 2.671216 -2.682704
C 0.187381 5.935902 -0.842558
C -1.005255 5.803663 1.282861
C -0.208107 6.537926 0.352152
H -0.161620 -1.647047 -1.841250
H 0.846294 -3.117844 -2.128614
H 0.806799 -4.940628 -0.355422
H -0.265312 -4.686742 1.071335
H 1.208441 -0.912793 0.008010
H 2.264078 -1.291268 -1.395294
H 1.111568 -2.828968 1.879939
H 2.144452 -4.263878 1.596996
H -1.395270 -4.471909 -1.807424
H -2.161464 -4.309813 -0.189564
H -3.540010 -3.203955 -1.849811
H -2.194345 -2.176011 -2.429161
H 3.752281 -0.369232 -0.300417
H 4.134576 -4.349546 1.459796
H 6.122803 0.070497 0.211715
H 6.485199 -3.861935 2.018335
H 7.533649 -1.654852 1.390983
H -2.525544 2.292993 1.176758
H -1.262482 0.895310 -2.015081
H -1.995512 3.971362 1.754392
H 0.841435 4.559851 -3.086979
H 0.164766 2.203040 -3.620893
H 0.803105 6.486795 -1.563605
H -1.310666 6.270863 2.225294
H -4.967273 -0.732170 3.273246
H -5.141442 -2.360493 2.587348
H 0.090928 7.566106 0.582273


