%chk=TTMCuNTs-Cl-t-freq.chk
%nprocshared=12
%mem=24GB
#p freq b3lyp/genecp scrf=(smd,solvent=dichloromethane) nosymm pop=full
empiricaldispersion=gd3 gfinput gfprint scf=(maxcyc=400,xqc)

TTMCuNTs-Cl-freq

0 3
 C                  0.81249999   -0.42857142    0.00000000
 C                  1.37915499   -1.35340942   -1.05583900
 C                  1.23550199   -0.92723142    1.37064600
 C                  1.39955899    0.95099258   -0.23016900
 C                  2.02058799    1.45015358   -1.35829500
 H                  2.25102399    1.02597658   -2.32037900
 C                  0.79547999   -1.89095842   -2.17748000
 H                 -0.20754701   -1.84542342   -2.56877000
 C                  0.50466499   -1.27641042    2.48152600
 H                 -0.55305901   -1.28741742    2.68982200
 N                  1.43684299   -1.64867242    3.39616000
 N                  2.40497299    2.69314658   -1.00433900
 N                  1.80683999   -2.54820942   -2.80182400
 N                  1.43697599    1.90968958    0.74166500
 N                  2.04570199    2.96603458    0.27072000
 N                  2.95595799   -2.43208242   -2.13594700
 N                  2.69433899   -1.70622742   -1.07478300
 N                  2.54875199   -1.11885442    1.67400600
 N                  2.67304999   -1.56198242    2.90268100
 Cu                 4.10363899   -0.96021142    0.28124300
 O                 -0.60133601   -0.51425142   -0.14460100
 C                 -1.37003601    0.58112158    0.36236400
 H                 -1.24446301    1.47962158   -0.25279300
 H                 -2.41096601    0.25193858    0.31468700
 H                 -1.11242601    0.82468558    1.39924000
 C                  1.80042199   -3.13861742   -4.14961300
 H                  2.68307899   -3.78018742   -4.19749000
 H                  0.90621999   -3.75895742   -4.23614900
 C                  3.22856899    3.63978258   -1.76747600
 H                  3.16238799    4.58649758   -1.22542000
 H                  4.25993799    3.28244558   -1.73294500
 C                  1.21794499   -2.19195942    4.74529700
 H                  2.15471199   -2.03277342    5.28415000
 H                  0.43907299   -1.58830342    5.21541900
 C                  1.82961799   -2.04439042   -5.19790100
 C                  2.90760899   -1.14773442   -5.23311800
 C                  0.77366999   -1.89525942   -6.10245000
 C                  2.91746499   -0.10543042   -6.15932500
 H                  3.73292799   -1.25690642   -4.53420200
 C                  0.79095099   -0.85450442   -7.03691400
 H                 -0.06387301   -2.58847342   -6.07407100
 C                  1.85951299    0.04415658   -7.06301900
 H                  3.75051599    0.59099658   -6.17092700
 H                 -0.03290501   -0.74410242   -7.73708900
 H                  1.86788399    0.85998558   -7.78103400
 C                  0.83349299   -3.65597042    4.70138600
 C                 -0.43068401   -4.06977542    5.13351200
 C                  1.74440099   -4.60703942    4.21984900
 C                 -0.78301501   -5.42214242    5.08996800
 H                 -1.13930001   -3.33403042    5.50656400
 C                  1.39103799   -5.95554042    4.17107700
 H                  2.72769299   -4.28698842    3.88331000
 C                  0.12633199   -6.36589942    4.60786600
 H                 -1.76649501   -5.73499942    5.43035700
 H                  2.10284499   -6.68679942    3.79760700
 H                 -0.14648301   -7.41725242    4.57252500
 C                  2.75369299    3.77646658   -3.19649800
 C                  1.50387199    4.34892358   -3.47377300
 C                  3.55310499    3.32600658   -4.25280200
 C                  1.06192199    4.47295758   -4.79103600
 H                  0.87919299    4.69357058   -2.65271400
 C                  3.11514799    3.46097758   -5.57384900
 H                  4.50628399    2.85336058   -4.03576900
 C                  1.87015499    4.03225458   -5.84524300
 H                  0.09188999    4.91786358   -4.99695800
 H                  3.74527399    3.11463658   -6.38848200
 H                  1.52845499    4.13226058   -6.87214300
 N                  5.59266699   -1.17868042   -0.96708300
 S                  5.72676499   -0.21060342   -2.29854200
 O                  5.81592599   -1.09788642   -3.48487300
 O                  4.73069099    0.88765758   -2.37539200
 C                  7.31749799    0.54921758   -2.01853500
 C                  8.46626199   -0.03962142   -2.55116100
 C                  7.38762099    1.72382458   -1.26056000
 C                  9.70095099    0.56983658   -2.33135600
 H                  8.38945699   -0.94939542   -3.13754800
 C                  8.62919899    2.31415658   -1.04862000
 H                  6.48627999    2.15315858   -0.83785000
 C                  9.80242199    1.75043458   -1.58023000
 H                 10.59895499    0.12253458   -2.74955400
 H                  8.69408199    3.22660958   -0.46109000
 C                 11.13562799    2.41668058   -1.34872600
 H                 11.19533499    3.36945858   -1.89118000
 H                 11.28418699    2.64314658   -0.28612000
 H                 11.96553299    1.78697558   -1.68444300
 Cl                 5.38360799    0.49489358    1.60276100

-Cu 0
LANL2DZ
****
-N -C -H -O -Cl -S 0
6-31g*
****
-I     0
LANL2DZ
D   1   1.00
      0.2940000              1.0000000
****

-Cu -I 0
LANL2DZ







