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

CDP_3412

0 1
P -2.4154 -1.1766 -3.1258
P -0.0455 -1.4000 -4.2254
O -1.4416 -1.7621 -4.0333
O -1.9664 -1.2671 -1.7390
O -2.6796 0.1978 -3.4908
O 0.5053 -2.2457 -5.2530
O 0.7220 -1.5964 -3.0190
O -0.9197 0.0774 3.9831
O -2.9838 -1.0840 2.6344
O -0.2932 -0.3356 0.4764
O -3.6471 -1.9085 -3.2783
O 0.1071 -0.0380 -4.6719
O 2.8223 -1.2681 1.6799
N 4.9531 2.5016 1.7099
N 1.4708 0.5762 1.7044
N 3.7819 0.6260 1.7208
C -2.4573 -0.6372 -0.6663
C 0.2438 -0.1482 1.7933
C -1.6152 -0.8759 0.6079
C -0.9682 0.4010 2.5954
C -2.1981 -0.1790 1.8620
C 2.6602 -0.0553 1.7069
C 3.8120 1.9177 1.6766
C 1.4948 1.9131 1.5805
C 2.6441 2.6218 1.5869
H -2.9003 0.4111 -4.3146
H 0.5209 -3.1193 -5.1485
H 1.5555 -1.3207 -2.9715
H -0.1314 0.5471 4.3272
H -3.7046 -1.3648 2.0306
H 5.7417 1.9993 1.6802
H 5.0036 3.4342 1.7662
H -3.4801 -0.9767 -0.4749
H -2.4768 0.4438 -0.8395
H 0.4218 -1.1444 2.2242
H -1.5301 -1.9569 0.7760
H -1.0403 1.4888 2.5508
H -2.8669 0.6440 1.5882
H 0.6634 2.4451 1.4750
H 2.6371 3.6146 1.5149

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

CDP_3412

0 1