%mem=1gb
%nproc=4
%chk=temp.chk
#t b3lyp/6-31g* opt=(gdiis,loose)

melibiose_7769

0 1
C -0.2650 1.2197 1.9302
O 0.9792 0.6197 2.3528
O -0.6627 0.7644 0.6193
C -0.2146 2.7693 2.0041
C 2.1750 1.0445 1.6661
C -0.9093 -0.6485 0.5189
C 1.0910 3.3362 1.3860
O -1.3551 3.3489 1.3703
C 2.3491 2.5743 1.8862
C 3.3732 0.2050 2.1710
C -1.4494 -1.0558 -0.8702
O 1.2202 4.7268 1.6783
O 2.5655 2.8275 3.2760
O 3.2057 -1.1781 1.8798
C -1.7286 -2.5861 -0.9369
O -0.5083 -0.6749 -1.8984
C -2.1832 -3.0008 -2.3599
O -2.7157 -2.9620 0.0240
C -0.9161 -0.9634 -3.2529
C -1.2136 -2.4736 -3.4503
O -2.2909 -4.4207 -2.4459
O 0.1263 -0.5528 -4.1321
O -1.7770 -2.7095 -4.7394
H -1.0240 0.9065 2.6548
H -0.2520 3.0618 3.0578
H 2.0840 0.8435 0.5917
H -1.6536 -0.9348 1.2676
H 0.0121 -1.2030 0.7183
H 1.0355 3.2456 0.2968
H -2.1348 2.9410 1.8023
H 3.2274 2.9301 1.3405
H 4.2988 0.5380 1.6955
H 3.4853 0.3063 3.2517
H -2.3839 -0.5052 -1.0244
H 0.4032 5.1456 1.3353
H 2.6866 3.7957 3.3583
H 3.9998 -1.6114 2.2598
H -0.8081 -3.1261 -0.6923
H -3.1806 -2.5889 -2.5403
H -2.7632 -3.9398 -0.0135
H -1.7984 -0.3696 -3.5057
H -0.2730 -3.0294 -3.3886
H -2.9353 -4.6744 -1.7515
H 0.2023 0.4172 -4.0110
H -1.1239 -2.3588 -5.3802

--link1--
%mem=1gb
%nproc=4
%chk=temp.chk
#t pbe1pbe/3-21g** guess=read geom=checkpoint nmr

melibiose_7769

0 1