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

inosine_3588

0 1
O -0.7766 2.3765 3.0484
O 1.3361 1.1456 -2.4429
O 0.5825 3.4607 -1.2404
O 0.4113 0.7638 0.9991
O -0.0203 -5.4768 -0.2693
N 1.1546 -1.1387 -0.1621
N -1.2293 -1.7552 -0.0478
N -1.6351 -3.9906 -0.1450
N 1.9174 -3.2480 -0.2533
C -1.0672 2.5786 1.6694
C 1.1484 0.2964 -0.1337
C 0.1267 2.1504 0.7877
C 0.4556 0.9805 -1.3325
C -0.0831 2.3017 -0.7401
C 0.0942 -1.9685 -0.1267
C -0.3574 -4.3051 -0.2037
C 0.5800 -3.2776 -0.1976
C -2.0698 -2.7708 -0.0702
C 2.2400 -1.9423 -0.2282
H -1.5906 2.6460 3.5235
H 1.6035 0.2353 -2.6975
H 0.1689 4.2153 -0.7684
H -1.5579 -0.8798 0.0219
H -1.2902 3.6361 1.5144
H -1.9548 1.9944 1.4179
H 2.1764 0.6749 -0.0550
H 1.0043 2.7247 1.1071
H -0.3876 0.3795 -1.6846
H -1.1411 2.4109 -0.9978
H -3.0464 -2.6031 -0.0309
H 3.2076 -1.6150 -0.2615

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

inosine_3588

0 1