%chk=000232942.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232942

0 1
S -1.299090 3.082224 0.292027
S 4.161341 0.244076 -0.460544
S 1.377462 -4.214238 -0.304364
N -0.925692 0.361238 0.077126
N 1.007879 1.621775 -0.064413
N 0.123365 -1.913091 -0.098800
N 2.560101 -1.794819 -0.359016
C 0.141578 -0.546367 -0.060737
C 1.346787 0.259702 -0.157493
C -2.324688 0.033129 0.185027
C -0.323386 1.656794 0.075234
C 2.561097 -0.442152 -0.312564
C -2.716962 -1.007835 1.043186
C -3.266492 0.747877 -0.572501
C 1.358120 -2.459247 -0.249979
C -4.074635 -1.314032 1.155505
C -4.620191 0.429336 -0.437488
C -5.026194 -0.594327 0.424744
C -0.065386 4.390334 0.398679
C 3.932063 2.024404 -0.386539
C 3.120067 -4.625157 -0.489337
H -1.970843 -1.581436 1.597734
H -2.957071 1.527383 -1.269238
H -4.390445 -2.121408 1.816621
H -5.361661 0.980704 -1.015556
H -6.083408 -0.836286 0.522271
H 0.602884 4.253657 1.260056
H -0.595900 5.345308 0.510513
H 0.561810 4.437340 -0.502806
H 3.478635 2.348178 0.561182
H 3.285620 2.396318 -1.194355
H 4.920927 2.490620 -0.482795
H 3.204629 -5.717811 -0.534789
H 3.722514 -4.253714 0.351581
H 3.549366 -4.194576 -1.405272


%chk=000232942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232942

0 1
S -1.346230 3.159114 0.324044
S 4.206803 0.250658 -0.458110
S 1.293825 -4.258777 -0.304935
N -0.941093 0.377404 0.085833
N 0.975763 1.653368 -0.052482
N 0.074661 -1.872466 -0.093572
N 2.502231 -1.791524 -0.349060
C 0.133010 -0.524650 -0.050673
C 1.315307 0.286948 -0.144933
C -2.335570 0.028060 0.193786
C -0.357851 1.669398 0.084308
C 2.530891 -0.427162 -0.302215
C -2.725611 -1.011729 1.070661
C -3.297753 0.708960 -0.589534
C 1.310524 -2.441891 -0.246238
C -4.089525 -1.357822 1.170168
C -4.661275 0.364455 -0.469014
C -5.061919 -0.668125 0.409329
C 0.067193 4.402355 0.397849
C 3.973814 2.120653 -0.386888
C 3.129679 -4.614356 -0.499716
H -1.969581 -1.548096 1.649475
H -2.985172 1.487090 -1.293223
H -4.391249 -2.165828 1.844908
H -5.405992 0.894646 -1.072026
H -6.119970 -0.937821 0.494466
H 0.721674 4.163199 1.246995
H -0.418208 5.381097 0.532237
H 0.635313 4.365900 -0.541371
H 3.525929 2.415845 0.570413
H 3.338260 2.459166 -1.215071
H 4.993277 2.526195 -0.484667
H 3.209335 -5.711862 -0.549325
H 3.680725 -4.218270 0.364205
H 3.502988 -4.150232 -1.422725


