%mem=115GB
%nprocshared=28
%chk=LiTMP_thf_3.chk
#p opt freq b3lyp/gen scrf=(solvent=thf,pcm) empiricaldispersion=gd3bj
scf=xqc

LiTMP_thf_3

0 1
 C                 -2.10671271    1.16709471    0.02429372
 C                 -2.96445631    0.39948286   -1.04548935
 C                 -2.05006953   -0.61281323   -1.64092826
 C                 -1.86640839   -1.69216025   -0.54034266
 C                 -1.88945589   -1.01576458    0.86452687
 N                 -1.19800923    0.22531918    0.75610775
 H                 -2.42621252   -1.07936516   -2.52818471
 H                 -3.78569496   -0.12630881   -0.60505589
 H                 -2.66477480   -2.40464741   -0.53955627
 Li                 0.43105439   -0.11027504   -0.22026881
 H                 -3.34193530    1.10348521   -1.75692833
 H                 -1.13457287   -0.11028063   -1.87466683
 H                 -0.94119981   -2.18775305   -0.74411871
 C                 -3.10022730    1.85937643    0.97808422
 H                 -2.55939145    2.39923851    1.72690029
 H                 -3.71490712    2.53727081    0.42251601
 H                 -3.71837193    1.12160632    1.44650499
 C                 -1.19602950    2.21721753   -0.64121367
 H                 -1.79545054    2.91748865   -1.18400622
 H                 -0.63808049    2.73417519    0.11101437
 H                 -0.52173534    1.72903830   -1.31388176
 C                 -3.32830459   -0.69469102    1.30661386
 H                 -3.89068400   -1.60215860    1.37425205
 H                 -3.30926157   -0.21485970    2.26365821
 H                 -3.78474801   -0.04435095    0.59113716
 C                 -1.24695380   -1.97019979    1.88859283
 H                 -1.24227925   -1.50850662    2.85340197
 H                 -1.81046666   -2.87929054    1.93137656
 H                 -0.24221472   -2.18664058    1.59191305
 C                  1.69669809   -2.29250734   -1.14158800
 C                  1.92939913   -2.12250836    1.15760533
 C                  2.83575035   -3.15357123   -0.63807528
 H                  2.14896345   -1.42329692   -1.57142652
 H                  1.06289517   -2.74936821   -1.87252501
 C                  3.27734240   -2.20501752    0.46924403
 H                  1.74819989   -3.09304397    1.56986685
 H                  1.85420661   -1.39571611    1.93904264
 H                  2.49898005   -4.08987186   -0.24439971
 H                  3.58046938   -3.36637987   -1.37596793
 H                  4.06424591   -2.57394524    1.09391610
 H                  3.59653202   -1.26191674    0.07607995
 C                  2.60908618    1.35179438   -0.80906950
 C                  1.33344067    2.39474474    0.82259437
 C                  2.96115990    2.82035703   -0.68721544
 H                  1.99862924    1.26519271   -1.68427619
 H                  3.44095023    0.68542911   -0.90138550
 C                  1.55014209    3.30072533   -0.37177656
 H                  2.00524536    2.73898755    1.58188219
 H                  0.34008068    2.38574670    1.21974128
 H                  3.63355885    3.01464361    0.12192044
 H                  3.39420978    3.24023742   -1.57145344
 H                  1.46702228    4.34414925   -0.14808731
 H                  0.87385289    3.09014126   -1.17339798
 O                  0.97772620   -1.89537169    0.06899190
 O                  1.78017092    1.07590028    0.36756149
 C                  1.40838232    0.57496657   -2.62700925
 C                 -0.26583559   -1.01219331   -2.83934216
 C                  1.45791212   -0.09983247   -3.98171292
 H                  2.19195029    0.13296180   -2.04678626
 H                  1.54295748    1.63663985   -2.63519591
 C                  1.02164136   -1.47488009   -3.49137443
 H                 -0.90514219   -0.69794416   -3.63750151
 H                 -0.77731875   -1.74800358   -2.25642110
 H                  0.75393052    0.31538092   -4.67235603
 H                  2.42007952   -0.07027607   -4.44895529
 H                  0.88337388   -2.20640934   -4.25960399
 H                  1.71662173   -1.88009575   -2.78536569
 O                  0.12172492    0.16526236   -2.06229711

C H O N Li 
6-31G(d)
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