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

ADP_3310

0 1
C -1.7668 -5.6048 -0.0702
C -2.5016 -1.2365 -0.4126
C 1.4738 1.7744 0.0865
C -3.1970 -3.2535 -0.2490
C -3.8713 -4.4857 -0.1528
C -1.8018 -3.2578 -0.2320
C 1.4310 0.2341 -0.0025
C 1.7338 -0.3113 -1.4226
C 0.6059 -1.3303 -1.6850
C -0.0158 -1.5399 -0.2909
N -5.1765 -4.5758 -0.1311
N -3.1275 -5.6223 -0.0737
N -1.1062 -4.4199 -0.1441
N -3.6181 -1.9869 -0.3660
N -1.3798 -1.9841 -0.3129
O 3.0478 -0.8634 -1.4827
O 1.0585 -2.5445 -2.2802
O 3.9019 5.9577 0.7981
O 1.6486 6.4246 0.4204
O 0.8577 3.6763 3.1588
O 2.5062 6.3543 2.6161
O -0.0967 4.1463 1.0916
O 0.1277 -0.2571 0.3294
O 1.2165 2.2260 1.3228
O 2.2985 4.3276 1.3629
P 2.5687 5.7544 1.3075
P 1.0810 3.6169 1.7357
H -1.2413 -6.4768 -0.0096
H -2.5215 -0.2185 -0.5075
H 2.4708 2.0978 -0.2310
H 0.7421 2.1669 -0.6284
H 2.1373 -0.1780 0.7286
H 1.6925 0.4674 -2.1907
H -0.1360 -0.8861 -2.3567
H 0.5881 -2.2579 0.2795
H -5.5858 -5.4167 -0.1513
H -5.7044 -3.8050 -0.0889
H 3.6437 -0.1141 -1.2674
H 0.2579 -3.1007 -2.3778
H 4.1036 5.7334 -0.0292
H 1.5854 7.3012 0.4193
H 0.0688 3.4683 3.4897

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

ADP_3310

0 1