SAPT analysis for water tetramer using PSI4 softwere at MP2/aug-cc-pVDZ level. Please share an example file.
%mem=5GB
%nproc=10
#p MP2/aug-cc-pVDZ
S3-A
0 1
O 1.365266070 1.368498210 0.011231922
H 1.506203546 0.397269454 -0.005628996
H 1.880475787 1.687147013 0.756946262
O 1.368498210 -1.365266070 -0.011231922
H 0.397269454 -1.506203546 0.005628996
H 1.687147013 -1.880475787 -0.756946262
O -1.365266070 -1.368498210 0.011231922
H -1.506203546 -0.397269454 -0.005628996
H -1.880475787 -1.687147013 0.756946262
O -1.368498210 1.365266070 -0.011231922
H -0.397269454 1.506203546 0.005628996
H -1.687147013 1.880475787 -0.756946262