%chk=000294597.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294597

0 1
N 3.177391 0.111139 -0.061395
N 2.124373 0.863680 -0.398457
N 1.063441 0.763832 0.299429
N -1.178906 -1.009003 -1.076898
N -2.231631 -0.761250 1.090437
N -2.079195 -2.991862 0.065173
N -0.956384 -3.177151 -2.011218
N -3.189150 -2.663126 2.129638
C 3.144556 -0.963479 0.982335
C 4.195539 -0.010841 -1.148971
C -1.307795 1.198625 -0.028640
C 0.011375 1.703500 0.036714
C 3.415438 -0.357483 2.356655
C 3.877861 -1.131099 -2.136057
C -2.387197 2.087951 -0.120057
C -1.572926 -0.260352 0.000083
C 0.229947 3.093431 -0.023013
C -2.162185 3.465279 -0.171669
C -0.854982 3.963138 -0.127460
C -1.429408 -2.373831 -0.990073
C -2.471302 -2.131716 1.079209
H 2.148850 -1.469326 0.977972
H 3.902240 -1.736953 0.739496
H 5.179679 -0.178570 -0.656643
H 4.263670 0.964829 -1.686953
H 4.364677 0.188832 2.385245
H 2.623497 0.353726 2.636659
H 3.445428 -1.133880 3.128598
H 3.841902 -2.114664 -1.654572
H 2.901041 -0.973410 -2.616185
H 4.629333 -1.178805 -2.932442
H -3.405193 1.696300 -0.147934
H 1.246916 3.480672 0.014540
H -3.004290 4.149797 -0.244965
H -0.682417 5.038163 -0.173251
H -0.636973 -2.739154 -2.863243
H -1.275056 -4.132791 -2.068767
H -3.263193 -3.663868 2.225311
H -3.368070 -2.092081 2.942568


%chk=000294597-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294597

0 1
N 3.222824 0.075249 -0.368313
N 2.181839 0.933410 -0.572472
N 1.083206 0.590892 0.065984
N -1.007160 -1.279869 -0.476327
N -2.733781 -0.647297 1.107124
N -2.446602 -3.000960 0.505961
N -0.771901 -3.536565 -1.044984
N -4.105013 -2.314882 2.013086
C 3.106540 -1.145410 0.463510
C 4.443121 0.373612 -1.136611
C -1.320500 1.082713 0.138903
C 0.022238 1.533242 -0.071368
C 3.349338 -0.871594 1.964428
C 4.555879 -0.439093 -2.446494
C -2.368527 2.038212 0.196122
C -1.684210 -0.353672 0.270455
C 0.260801 2.923371 -0.275407
C -2.121832 3.410233 -0.004074
C -0.797918 3.849191 -0.252949
C -1.431406 -2.580031 -0.313237
C -3.065222 -1.980216 1.182588
H 2.083240 -1.538758 0.322371
H 3.835305 -1.880915 0.076074
H 5.319307 0.177350 -0.489413
H 4.423444 1.453014 -1.362654
H 4.353788 -0.445558 2.140615
H 2.592637 -0.166384 2.346177
H 3.267092 -1.812759 2.538547
H 4.568296 -1.526746 -2.249460
H 3.702315 -0.215409 -3.109483
H 5.490198 -0.179446 -2.977530
H -3.380691 1.671659 0.392047
H 1.293518 3.253410 -0.425909
H -2.946756 4.129651 0.034286
H -0.592807 4.914587 -0.410589
H -0.035771 -3.240835 -1.680717
H -1.065962 -4.507169 -0.977502
H -4.378609 -3.289844 2.100961
H -4.569356 -1.578183 2.537453


