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

CTP_3363

0 1
P -0.0968 -0.8287 -3.6199
P -2.4957 -0.5923 -2.5423
P 0.5334 -3.2662 -4.3649
O -1.5111 -1.1372 -3.4555
O 0.4934 -1.8176 -4.5088
O -2.0444 -0.7249 -1.1608
O 0.6252 -0.7977 -2.3662
O -2.7717 0.7836 -2.8873
O 1.1797 -3.8153 -5.5285
O -0.7901 -3.8385 -4.2833
O -0.9245 0.5424 4.5633
O -2.9984 -0.6216 3.2277
O -0.3409 0.1616 1.0437
O 0.0581 0.4539 -4.2579
O -3.7026 -1.3549 -2.7292
O 1.2978 -3.6704 -3.2121
O 2.7939 -0.7933 2.2531
N 4.9238 2.9760 2.2742
N 1.4412 1.0504 2.2689
N 3.7523 1.1011 2.2907
C -2.5250 -0.1196 -0.0717
C 0.2130 0.3276 2.3568
C -1.6621 -0.3795 1.1842
C -0.9882 0.8721 3.1778
C -2.2277 0.2974 2.4568
C 2.6308 0.4191 2.2766
C 3.7825 2.3923 2.2419
C 1.4652 2.3870 2.1421
C 2.6144 3.0962 2.1483
H 1.4974 -0.6854 -2.3568
H -2.9714 1.0047 -3.7145
H 0.8326 -3.6885 -6.3273
H -0.8986 -4.6897 -4.0901
H -0.1410 1.0225 4.9039
H -3.7297 -0.8923 2.6319
H 5.7121 2.4723 2.2620
H 4.9752 3.9095 2.3122
H -3.5427 -0.4707 0.1252
H -2.5527 0.9645 -0.2232
H 0.3905 -0.6756 2.7712
H -1.5748 -1.4633 1.3331
H -1.0592 1.9603 3.1383
H -2.9039 1.1217 2.2062
H 0.6332 2.9182 2.0355
H 2.6073 4.0887 2.0745

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

CTP_3363

0 1