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

UDPglucuronate_3467

0 1
P -0.7456 -2.7717 1.6824
P 0.4396 -0.7120 2.8459
O -0.6381 -1.6613 2.6063
O -0.5689 -2.3321 0.3007
O -0.1679 0.4572 3.4740
O 0.2020 -3.7952 2.0570
O 1.1156 -0.2991 1.6352
O 0.0630 2.7378 1.8401
O 0.5775 -1.8129 -5.4331
O -0.9305 -3.5314 -3.9635
O -3.4572 1.9176 1.1401
O -1.7985 4.7201 2.8210
O -4.0874 1.4350 5.3835
O 1.0418 -1.3618 -1.9383
O -1.5811 2.0582 4.1838
O -2.0739 -3.3042 1.8475
O 1.4097 -1.2619 3.7560
O -4.9307 1.9775 3.5761
O 3.8872 -2.1093 -2.7748
O 6.1295 1.5384 -3.2041
N 2.6452 -0.2545 -3.2412
N 4.9513 -0.2894 -3.0679
C -0.3271 -3.0791 -0.7827
C -1.2670 1.1417 3.1135
C 1.3731 -0.9014 -3.2585
C -0.0933 -2.2296 -2.0544
C -1.1104 1.9265 1.7793
C 1.1465 -2.1423 -4.1671
C 0.2478 -3.0640 -3.3102
C -2.3743 2.7779 1.4962
C -2.7529 3.6622 2.7174
C -2.7861 2.8514 4.0537
C -3.9786 2.0625 4.3365
C 3.7966 -0.9168 -3.0324
C 5.0282 1.0094 -3.2142
C 2.7216 1.0801 -3.3847
C 3.8932 1.7488 -3.3684
H 0.2747 -4.0434 2.8974
H 1.6559 0.3950 1.6369
H 0.1363 3.1600 0.9588
H 1.2770 -1.3148 -5.9057
H -1.3967 -4.0711 -3.2899
H -3.1201 1.3516 0.4134
H -2.0976 5.2734 3.5726
H -3.4491 1.4487 5.9892
H 5.7433 -0.7807 -2.9801
H -1.1728 -3.7488 -0.9686
H 0.5681 -3.6875 -0.6210
H -2.1070 0.4413 3.0302
H 0.5741 -0.1970 -3.5355
H -0.9916 -1.6238 -2.2306
H -0.9674 1.2292 0.9498
H 2.0728 -2.6703 -4.4023
H 0.8260 -3.9503 -3.0288
H -2.1956 3.4081 0.6209
H -3.7141 4.1497 2.5338
H -2.7473 3.5799 4.8683
H 1.9055 1.6394 -3.4977
H 3.9253 2.7390 -3.4614

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

UDPglucuronate_3467

0 1