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

dADP_3506

0 1
P 0.4258 -3.1892 -2.4939
P -0.1949 -1.2692 -4.1646
O 0.4002 -2.5453 -3.7976
O 1.0734 -2.3384 -1.4986
O -0.9169 -3.5333 -2.0796
O 0.0099 -1.0579 -5.5745
O 0.4207 -0.1773 -3.4491
O 2.9859 -1.8840 2.6022
O 1.0737 -0.0468 0.3259
O 1.1649 -4.4195 -2.6254
O -1.6178 -1.2473 -3.9351
N -3.2162 4.7058 1.2601
N 0.4605 1.9496 1.4219
N -0.2718 4.0676 1.3614
N -3.5614 2.4287 1.3753
N -1.7716 0.9014 1.4402
C 1.0577 -2.4678 -0.1676
C 1.3552 0.8251 1.4292
C 1.7373 -1.2932 0.5734
C 1.7127 -1.4699 2.1139
C 1.2607 -0.1016 2.6577
C -2.7202 3.4971 1.3334
C -0.8860 1.9316 1.4131
C -1.3342 3.2525 1.3647
C 0.8010 3.2577 1.4021
C -3.1083 1.1461 1.4288
H -1.4534 -3.9807 -2.6132
H 0.0801 0.6320 -3.4919
H 0.8249 -1.0107 -5.9028
H 3.1533 -2.7408 2.1535
H -4.1395 4.8385 1.3318
H -2.6524 5.4407 1.1295
H 1.5692 -3.3933 0.1156
H 0.0245 -2.5174 0.1920
H 2.3924 1.1759 1.3444
H 2.7676 -1.1967 0.2099
H 0.9956 -2.2313 2.4375
H 1.8786 0.2489 3.4876
H 0.2304 -0.1730 3.0169
H 1.7592 3.6142 1.4128
H -3.7706 0.3709 1.4587

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

dADP_3506

0 1