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

cytidine_3758

0 1
C 1.5691 1.8854 -1.9789
C 1.0539 0.9895 -1.1111
C 1.1100 -2.3528 2.3240
C 0.7634 2.9237 -2.3557
C -0.9489 2.1142 -1.0748
C -0.0897 -1.4761 1.8992
C -1.0660 -2.1390 0.8979
C -1.3328 -1.0519 -0.1670
C -0.6522 0.2174 0.3936
N 1.1799 3.8444 -3.1439
N -0.4491 2.9943 -1.9117
N -0.1837 1.1149 -0.6066
O 1.9397 -1.6758 3.2615
O -2.2456 -2.5896 1.5633
O -2.7193 -0.8494 -0.4386
O -2.1206 2.3026 -0.7775
O 0.3830 -0.2967 1.2460
H 2.4926 1.7812 -2.3344
H 1.6427 0.2266 -0.8611
H 0.7549 -3.2765 2.7848
H 1.7188 -2.6100 1.4544
H -0.6249 -1.1617 2.8023
H -0.6203 -3.0147 0.4162
H -0.8579 -1.3462 -1.1084
H -1.3427 0.7273 1.0796
H 0.5768 4.4512 -3.5215
H 2.0920 3.9183 -3.3389
H 2.6637 -2.3070 3.4593
H -1.9297 -3.2108 2.2530
H -2.7571 -0.1325 -1.1053

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

cytidine_3758

0 1