%nprocshared=12
%mem=20GB
#p genecp scf=xqc nosymm guess=always Int=grid=UltraFine empiricaldispersion=gd3 b3lyp

TS_onlyBase_noopt_SP

0 1
 N	 0.628806000	 9.794639000	-6.452420000
 C	-0.200218000	 8.565924000	-6.750432000
 C	 0.628936000	 10.885285000	-7.510477000
 C	 0.410726000	 10.368579000	-5.090907000
 H	-1.229171000	 8.887991000	-6.944983000
 C	-0.213770000	 7.600411000	-5.556753000
 C	 0.338111000	 7.828282000	-7.983540000
 H	 0.805779000	 11.802754000	-6.940395000
 C	-0.703432000	 11.064650000	-8.248043000
 C	 1.804942000	 10.746193000	-8.487714000
 H	 0.684327000	 9.598381000	-4.366444000
 H	 1.157846000	 11.159680000	-4.976143000
 C	-0.980992000	 10.914618000	-4.785460000
 H	-0.716821000	 8.009126000	-4.678351000
 H	-0.755040000	 6.694275000	-5.848693000
 H	 0.801296000	 7.306058000	-5.271642000
 H	 0.254278000	 8.409786000	-8.902900000
 H	 1.387764000	 7.548090000	-7.843609000
 H	-0.240720000	 6.909584000	-8.126221000
 H	-1.548705000	 11.158624000	-7.560819000
 H	-0.650798000	 11.985667000	-8.839512000
 H	-0.912492000	 10.243494000	-8.940050000
 H	 2.759973000	 10.647763000	-7.964849000
 H	 1.697639000	 9.888965000	-9.156198000
 H	 1.851579000	 11.647640000	-9.109974000
 H	-1.008205000	 11.250602000	-3.742226000
 H	-1.229662000	 11.774113000	-5.415617000
 H	-1.759510000	 10.155398000	-4.912326000

-C -H -F 0
cc-pvtz
****
-O -N -S 0
aug-cc-pvtz
****
-Cu     0
S   1   1.00
8.1760000              1.0000000
S   1   1.00
2.5680000              1.0000000
S   1   1.00
0.9587000              1.0000000
S   1   1.00
0.1153000              1.0000000
S   1   1.00
0.0396000              1.0000000
P   1   1.00
25.6300000              1.0000000
P   1   1.00
3.1660000              1.0000000
P   1   1.00
1.0230000              1.0000000
P   1   1.00
0.0860000              1.0000000
P   1   1.00
0.0240000              1.0000000
D   3   1.00
41.3400000              0.0465424
11.4200000              0.2227824
3.8390000              0.4539059
D   1   1.00
1.2300000              1.0000000
D   1   1.00
0.3102000              1.0000000
D   1   1.00
0.1010000              1.0000000
****

-CU     0
CU-ECP     2     10
d potential
3
1    511.9951763            -10.0000000
2     93.2801074            -72.5548282
2     23.2206669            -12.7450231
s-d potential
4
0    173.1180854              3.0000000
1    185.2419886             23.8351825
2     73.1517847            473.8930488
2     14.6884157            157.6345823
p-d potential
4
0    100.7191369              5.0000000
1    130.8345665              6.4990936
2     53.8683720            351.4605395
2     14.0989469             85.5016036


