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

3_4_Hydroxyphenyl_pyruvate_4406

0 1
O 1.5289 1.3814 2.8521
O -2.0529 -3.1854 -0.6059
O 2.6466 0.6228 1.2915
O 0.4335 3.0776 1.1372
C 0.7543 1.6425 -0.6306
C 1.7292 1.3512 1.6425
C 0.9777 2.0493 0.7523
C -1.4218 -2.1006 -0.6387
C -0.0007 0.3600 -0.6852
C -0.0139 -2.0968 -0.6808
C -2.1213 -0.8780 -0.6319
C -1.4149 0.3390 -0.6514
C 0.6849 -0.8769 -0.7180
H 0.8548 1.8364 3.1894
H -1.6259 -3.9556 -0.6083
H 1.7129 1.5635 -1.1506
H 0.2052 2.4065 -1.1912
H 0.5087 -2.9755 -0.6799
H -3.1443 -0.8686 -0.6066
H 1.7064 -0.9058 -0.7534
H -1.9476 1.2133 -0.6324

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

3_4_Hydroxyphenyl_pyruvate_4406

0 1