%chk=000291823.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291823

0 1
S 0.295646 -3.553723 -0.117627
S -1.877112 -2.428287 -1.649256
N 1.442791 -1.484909 1.366931
N -0.879566 -1.197446 0.491623
C 0.042277 -1.122242 1.677209
C 1.598914 -2.899144 1.018375
C 2.130761 -0.522985 0.515398
C -1.706801 -0.026186 0.234462
C -0.866771 -2.241819 -0.372329
C 2.722780 0.567116 1.177116
C 2.241624 -0.647593 -0.878382
C -1.092127 1.167733 -0.172171
C -3.096170 -0.103983 0.414884
C 3.538890 1.409101 -0.951143
C 3.420475 1.526139 0.443042
C 2.946041 0.314456 -1.602105
C -3.271757 2.243294 -0.198731
C -1.880258 2.299621 -0.381970
C -3.870938 1.035193 0.197646
C 4.292139 2.427819 -1.741589
C -4.117882 3.450205 -0.439071
H 0.017701 -0.081926 2.088229
H -0.345191 -1.817451 2.465798
H 2.584164 -3.093667 0.539983
H 1.549361 -3.503144 1.953583
H 2.645531 0.654689 2.260669
H 1.781509 -1.484260 -1.407258
H -0.013672 1.207626 -0.335357
H -3.565113 -1.045550 0.703523
H 3.879924 2.367447 0.959619
H 3.031438 0.214235 -2.683993
H -1.409771 3.228433 -0.700520
H -4.951083 0.981818 0.327381
H 5.228685 2.005694 -2.136194
H 3.710156 2.784226 -2.603624
H 4.562690 3.311921 -1.149977
H -4.876686 3.582983 0.344468
H -3.533228 4.378335 -0.480579
H -4.653669 3.364133 -1.397266


%chk=000291823-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291823

0 1
S 0.281551 -3.513767 -0.403493
S -2.002891 -2.273525 -1.899900
N 1.397555 -1.435548 1.189998
N -0.891336 -1.080589 0.308121
C 0.030788 -1.035184 1.507852
C 1.507011 -2.857695 1.006241
C 2.214836 -0.533197 0.416588
C -1.806443 0.045261 0.175852
C -0.929350 -2.132025 -0.587458
C 2.404831 0.795721 0.875027
C 2.866036 -0.943351 -0.775463
C -1.305377 1.307466 -0.211981
C -3.174860 -0.105148 0.497846
C 3.894731 1.288119 -1.029688
C 3.225060 1.688913 0.154942
C 3.697745 -0.043879 -1.474670
C -3.554209 2.287675 0.038774
C -2.177934 2.417038 -0.275430
C -4.035247 1.008627 0.428072
C 4.798565 2.242814 -1.790361
C -4.498026 3.473460 -0.059614
H -0.009773 -0.004183 1.884238
H -0.361326 -1.716035 2.287456
H 2.515246 -3.157629 0.690445
H 1.207282 -3.394841 1.918201
H 1.937349 1.124724 1.810167
H 2.692891 -1.945295 -1.181727
H -0.246599 1.412751 -0.475580
H -3.556896 -1.090471 0.782176
H 3.360913 2.709955 0.531458
H 4.186380 -0.380113 -2.397504
H -1.784301 3.393078 -0.582874
H -5.096595 0.885059 0.675245
H 5.861457 1.946760 -1.701204
H 4.555287 2.256648 -2.868748
H 4.708186 3.275008 -1.410315
H -5.181018 3.520787 0.807885
H -3.946967 4.428100 -0.113200
H -5.128848 3.402413 -0.966578


