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

ITP_3381

0 1
P -1.1003 0.3736 3.4594
P -1.8606 2.2812 1.8064
P 0.4821 1.1766 5.3907
O -1.5020 1.7259 3.0952
O -0.6041 0.3881 4.8261
O -0.7907 2.0525 0.8411
O -0.0907 -0.1748 2.5801
O -3.1139 1.7132 1.3651
O 0.5994 0.8348 6.7839
O 0.2206 2.5935 5.2941
O 1.7521 0.5236 -4.3509
O 1.0431 2.8921 -3.2002
O 0.6915 0.2502 -0.9242
O -2.2423 -0.5060 3.4328
O -2.0452 3.6987 1.9921
O 1.7466 0.8838 4.7638
O 0.2941 -6.0375 -2.1287
N 1.4822 -1.6981 -2.0246
N -0.9014 -2.3126 -1.9104
N -1.3137 -4.5448 -2.0136
N 2.2397 -3.8117 -2.1138
C -0.8534 2.1339 -0.4894
C 1.4789 -0.2605 -2.0087
C 0.4306 1.6353 -1.1910
C 0.8485 0.3962 -3.2558
C 0.3286 1.7499 -2.7334
C 0.4210 -2.5275 -1.9896
C -0.0377 -4.8643 -2.0679
C 0.9025 -3.8386 -2.0606
C -1.7449 -3.3235 -1.9385
C 2.5649 -2.5063 -2.0876
H 0.2860 -0.9485 2.7619
H -3.8074 1.6868 1.9045
H 0.8618 3.1777 5.4398
H 0.7736 0.0043 7.0179
H 1.9884 -0.3934 -4.6011
H 0.6030 3.6520 -2.7616
H -1.2269 -1.4394 -1.8332
H -1.0268 3.1744 -0.7822
H -1.6801 1.5220 -0.8659
H 2.5062 0.1118 -1.9002
H 1.2853 2.2101 -0.8138
H -0.0003 -0.1984 -3.6069
H -0.7025 1.8796 -3.0783
H -2.7200 -3.1523 -1.9025
H 3.5343 -2.1835 -2.1205

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

ITP_3381

0 1