%mem=1gb
%nproc=10
%chk=temp.chk
#t b3lyp/6-31g* opt=(gdiis,loose)

dTMP_3655

0 1
P -2.3742 -1.4349 3.7573
O -2.1550 -1.0513 2.3665
O -2.5658 -0.2779 4.5942
O -1.2362 -2.1775 4.2436
O -2.4585 -2.4879 -1.8645
O -0.5079 -0.2469 0.0885
O -3.5464 -2.2647 3.8739
O 2.3998 -1.0361 -0.7555
O 4.5685 2.6125 -1.1203
N 1.1124 0.7830 -1.2335
N 3.4129 0.8017 -1.0701
C -1.8962 -1.8680 1.3340
C 2.3198 4.2982 -1.3973
C -0.1466 0.1131 -1.2531
C -1.6447 -1.1139 0.0085
C -1.2911 -2.0334 -1.1843
C -0.3527 -1.1885 -2.0728
C 2.2771 0.1506 -1.0280
C 3.4575 2.1047 -1.1704
C 2.3022 2.8423 -1.3118
C 1.1564 2.1210 -1.3516
H -1.9071 0.2897 4.7287
H -1.2771 -2.6188 5.0029
H -2.9782 -2.9658 -1.1836
H 4.2172 0.3237 -1.0176
H -2.7407 -2.5462 1.1731
H -1.0067 -2.4703 1.5455
H 2.9274 4.6191 -2.2451
H 2.7445 4.7178 -0.4829
H 1.3305 4.7450 -1.5232
H -0.9416 0.7812 -1.6194
H -2.5367 -0.5158 -0.2194
H -0.7490 -2.9199 -0.8394
H -0.7918 -0.9807 -3.0521
H 0.5695 -1.7394 -2.2643
H 0.3086 2.6342 -1.4565

--link1--
%mem=1gb
%nproc=10
%chk=temp.chk
#t pbe1pbe/3-21g** guess=read geom=checkpoint nmr

dTMP_3655

0 1