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

UDP_3317

0 1
P -2.0572 -1.3211 3.1214
P -1.0146 0.8480 4.1683
O -2.0567 -0.1507 3.9850
O -1.8579 -0.9510 1.7228
O -1.0508 -2.2648 3.5550
O -1.4595 1.7886 5.1645
O -0.7563 1.5728 2.9473
O -0.6268 -0.6016 -3.9842
O -2.1317 -2.2956 -2.4843
O -0.1809 -0.0658 -0.5045
O -3.3393 -1.9619 3.2688
O 0.2152 0.2726 4.6523
O 2.6904 -0.8464 -1.3536
O 4.9178 2.8124 -1.7395
N 1.4399 1.0063 -1.8094
N 3.7468 0.9771 -1.6455
C -1.5725 -1.7409 0.6813
C 0.1678 0.3586 -1.8319
C -1.3176 -0.9324 -0.6122
C -0.0578 -0.9039 -2.7115
C -0.9600 -1.8048 -1.8361
C 2.5937 0.3465 -1.6089
C 3.8179 2.2787 -1.7650
C 1.5113 2.3431 -1.9340
C 2.6814 3.0166 -1.9070
H -1.0216 -2.5388 4.3900
H -2.1954 2.2545 5.0395
H -0.0943 2.1501 2.9039
H 0.0645 -0.0930 -4.4576
H -2.6119 -2.7992 -1.7927
H 4.5410 0.4861 -1.5776
H -2.4034 -2.4301 0.5006
H -0.6734 -2.3294 0.8891
H -0.6248 1.0586 -2.1370
H -2.2119 -0.3308 -0.8208
H 0.8667 -1.4395 -2.9351
H -0.3810 -2.6787 -1.5192
H 0.6939 2.9017 -2.0386
H 2.7090 4.0081 -1.9837

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

UDP_3317

0 1