!wB97X-D3 DEF2-TZVP OPT FREQ TightSCF SlowConv

%maxcore 1024

%PAL 
	NPROCS 6 
END

* xyz 0 1
 C    -1.737061    -0.566349     0.710399
 C    -0.672841    -0.275515    -0.314451
 C    -0.972517    -0.134172    -1.626347
 C    -0.094269     0.102753    -2.757559
 C    -0.580847     0.351781    -4.037197
 C     0.131543     0.493155    -5.239475
 C     1.630518     0.665957    -5.192512
 C     0.724308    -0.138681     0.232366
 C    -0.598915     0.678713    -6.473432
 C    -0.151116     0.842913    -7.740647
Li     0.172099    -1.761943    -4.335692
 N     0.861219    -3.236832    -5.887320
 C    -0.315332    -3.912650    -6.431329
 C    -1.587819    -3.098981    -6.240547
 N    -1.852291    -2.761787    -4.842043
 C    -2.076499    -3.934018    -4.010038
 C     1.817789    -4.144423    -5.264401
 C     2.728372    -3.445255    -4.261994
 N     2.008006    -2.690991    -3.243003
 C     1.282521    -3.540251    -2.308867
 C     2.928431    -1.834569    -2.508874
 C    -3.015819    -1.889389    -4.758319
 H     1.168775    -1.117739     0.497180
 H     1.402551     0.360909    -0.475363
 H     0.725037     0.457914     1.161188
 H    -2.732214    -0.661477     0.248940
 H    -1.531803    -1.504300     1.259572
 H    -1.794643     0.230652     1.474248
 H    -2.039761    -0.218548    -1.887188
 H     0.982228     0.191730    -2.577557
 H    -1.675503     0.356677    -4.133817
 H     2.062958     0.786259    -6.196506
 H     1.917904     1.556150    -4.601501
 H     2.156845    -0.185311    -4.716099
 H    -1.693361     0.673228    -6.347431
 H    -0.853266     0.977689    -8.567358
 H     0.914913     0.899939    -7.984475
 H     1.963434    -4.188305    -1.716834
 H     0.704350    -2.909259    -1.614425
 H     0.571649    -4.191848    -2.836947
 H     3.728293    -2.424230    -2.013129
 H     3.402595    -1.109047    -3.186944
 H     2.384274    -1.276251    -1.735638
 H     3.399252    -4.205632    -3.804381
 H     3.386126    -2.737910    -4.792709
 H     2.454081    -4.654983    -6.018613
 H     1.255117    -4.940813    -4.751978
 C     1.486034    -2.378301    -6.889703
 H    -0.192514    -4.130234    -7.510721
 H    -0.423434    -4.892212    -5.940660
 H    -2.440291    -3.661202    -6.682498
 H    -1.503932    -2.150956    -6.799187
 H    -3.154423    -1.540567    -3.724135
 H    -2.875652    -1.011862    -5.403340
 H    -3.940806    -2.413123    -5.079350
 H    -2.262606    -3.617780    -2.972451
 H    -2.950130    -4.528619    -4.353590
 H    -1.200408    -4.597995    -4.002939
 H     0.759217    -1.654964    -7.291281
 H     2.301319    -1.790827    -6.444599
 H     1.901762    -2.974326    -7.728912
*