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

dAMP_3651

0 1
P 0.4089 -3.1853 -3.1692
O 1.0253 -2.3146 -2.1729
O 0.5519 -2.6442 -4.4964
O -0.9964 -3.3442 -2.8800
O 2.9581 -1.9842 1.9694
O 1.0658 -0.0967 -0.2832
O 1.0269 -4.4870 -3.1539
N -3.2308 4.6194 0.6640
N 0.4481 1.8711 0.8358
N -0.2873 3.9869 0.7713
N -3.5745 2.3416 0.7801
N -1.7824 0.8175 0.8504
C 1.0314 -2.4927 -0.8434
C 1.3444 0.7488 0.8395
C 1.7196 -1.3509 -0.0598
C 1.6889 -1.5608 1.4772
C 1.2418 -0.2017 2.0491
C -2.7339 3.4107 0.7394
C -0.8986 1.8497 0.8249
C -1.3495 3.1693 0.7740
C 0.7867 3.1791 0.8148
C -3.1192 1.0600 0.8357
H -1.4719 -3.9649 -3.2825
H 0.1452 -1.8967 -4.7194
H 3.1252 -2.8408 1.5201
H -4.1543 4.7521 0.7316
H -2.6658 5.3541 0.5361
H 1.5542 -3.4223 -0.5942
H 0.0034 -2.5667 -0.4724
H 2.3824 1.0997 0.7666
H 2.7523 -1.2547 -0.4159
H 0.9685 -2.3271 1.7811
H 1.8601 0.1307 2.8863
H 0.2113 -0.2755 2.4068
H 1.7447 3.5369 0.8248
H -3.7804 0.2833 0.8645

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

dAMP_3651

0 1