%chk=000258916.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258916

0 1
S 0.838803 -0.824023 -2.421512
N -0.013424 0.573499 0.041263
C 1.142525 1.380463 -0.056832
C -1.149119 1.414665 0.083815
C -0.040063 -0.860904 0.135253
C 0.720958 2.712427 -0.091227
C -0.698200 2.733724 0.000075
C 2.511324 0.863238 -0.083561
C -2.523671 0.923908 0.184243
C 0.367032 -1.655886 -0.951387
C -0.484362 -1.466887 1.322775
C 2.947165 -0.087642 0.853886
C -3.009857 -0.055752 -0.697085
C 3.412346 1.358097 -1.043021
C -3.374809 1.464742 1.163436
C 0.357719 -3.047573 -0.842176
C -0.500412 -2.859556 1.420190
C -0.074605 -3.647229 0.344749
C 4.268383 -0.541127 0.825801
C -4.332313 -0.493345 -0.592160
C 4.731542 0.900854 -1.063183
C -4.696218 1.023079 1.260434
C 5.161886 -0.049129 -0.130671
C -5.176515 0.043058 0.385489
H 1.356911 3.571864 -0.163525
H -1.313950 3.610776 -0.005962
H -0.819289 -0.847323 2.156540
H 2.257245 -0.467444 1.605676
H -2.356919 -0.466282 -1.467442
H 3.073900 2.091965 -1.773631
H -2.999835 2.228296 1.843700
H 0.679902 -3.674325 -1.673018
H -0.846139 -3.332755 2.339002
H -0.083169 -4.733506 0.429953
H 4.602538 -1.278192 1.553682
H -4.706702 -1.252138 -1.277296
H 5.426210 1.284614 -1.808251
H -5.353722 1.444034 2.019145
H 6.190206 -0.403323 -0.149154
H -6.206295 -0.299238 0.463510
H 1.225691 -1.887125 -3.159424


%chk=000258916-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258916

0 1
S 0.646368 -0.890007 -2.572224
N -0.005535 0.537811 0.047425
C 1.161222 1.342290 -0.046468
C -1.147723 1.376341 0.123491
C -0.028288 -0.900492 0.145773
C 0.733448 2.682719 -0.047917
C -0.687687 2.704251 0.072003
C 2.550266 0.848089 -0.079622
C -2.543173 0.906356 0.190912
C 0.289080 -1.713708 -0.974941
C -0.379906 -1.501993 1.376431
C 3.004898 -0.274553 0.669286
C -3.020981 -0.214163 -0.547026
C 3.505073 1.561525 -0.861621
C -3.473838 1.631392 0.990162
C 0.289150 -3.122366 -0.830643
C -0.401321 -2.905391 1.510130
C -0.054480 -3.714669 0.403509
C 4.358970 -0.670346 0.626947
C -4.376155 -0.599858 -0.474551
C 4.858960 1.171632 -0.892659
C -4.830418 1.250678 1.051514
C 5.295220 0.047970 -0.151382
C -5.289330 0.127464 0.323867
H 1.397856 3.544365 -0.084695
H -1.330537 3.582950 0.070282
H -0.635355 -0.851270 2.218727
H 2.308127 -0.828663 1.304407
H -2.339709 -0.764229 -1.202758
H 3.169049 2.411829 -1.464966
H -3.118539 2.486136 1.576553
H 0.547429 -3.760415 -1.683452
H -0.679554 -3.361491 2.465395
H -0.055674 -4.806134 0.495608
H 4.684796 -1.536373 1.214400
H -4.722652 -1.463236 -1.053838
H 5.571478 1.736072 -1.504854
H -5.526765 1.823164 1.674728
H 6.345948 -0.261123 -0.179525
H -6.341384 -0.173952 0.375764
H 0.784363 -2.066001 -3.292074


