! easymecp: with_freq=yes
%nprocshared=12
%mem=24GB
%chk=I1d-2neg-3.chk
#p  freq=projected  guess(read) scrf=(smd,solvent=water) nosymm pop=full gfinput gfprint UB3LYP/genecp EmpiricalDispersion=GD3 scf=(maxcyc=400,xqc)

First State

-2 3
   7   -1.47000883   -0.72870954   -2.30361608
   7   -1.02034681   -1.92995546   -0.04764041
   7   -0.57966555    0.15760261    1.35067578
   7   -1.31573388    1.89852172   -0.42637519
   6   -0.67252696   -2.20197362    1.26174340
   6   -0.42561263   -1.02398144    2.05078976
   6   -0.54520820   -3.47619672    1.85007088
   6   -0.08613925   -1.15566075    3.41276361
   6   -0.19591149   -3.57840153    3.19294155
   1   -0.71983719   -4.36299420    1.25564937
   6    0.02716895   -2.42508213    3.97047363
   1    0.09072524   -0.27204476    4.01105770
   1   -0.09359966   -4.56186453    3.64360304
   1    0.30125159   -2.52303717    5.01711045
   6   -0.48121477    1.43179969    1.78694297
   6   -0.87023983    2.44652691    0.69833429
   6   -1.45777018   -2.76820380   -1.01108557
   6   -1.48225037    0.01705673   -3.55424809
   1   -1.00350919   -0.55802270   -4.35610972
   1   -2.50603621    0.25824313   -3.87162872
   1   -0.93121803    0.94881249   -3.42092032
   6   -1.75654547    2.79019122   -1.48891410
   1   -0.90630695    3.23498449   -2.02544361
   1   -2.36176854    2.22932915   -2.20138430
   1   -2.36418878    3.60810772   -1.08364865
   6   -1.68240503   -2.04021701   -2.34781181
   8   -1.66929299   -3.99117909   -0.90582574
   8   -2.01246782   -2.71604680   -3.36148378
   8   -0.14044196    1.81321803    2.92245251
   8   -0.77396577    3.67964223    0.95530173
  29   -0.91496013   -0.05144375   -0.54333672
   1    1.57792610    0.79734024   -0.38289792
   8    1.30200164    0.20624970   -1.10275089

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        
F   1   1.00
      3.5250000              1.0000000        
****
N O C H 0
6-31+G*
****

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






