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

AMP_3322

0 1
C -1.3462 -4.7565 0.0617
C -2.0891 -0.3893 -0.2783
C 1.8955 2.6449 0.2086
C -2.7796 -2.4087 -0.1165
C -3.4517 -3.6413 -0.0220
C -1.3849 -2.4082 -0.0961
C 1.8398 1.1020 0.1410
C 2.1456 0.5461 -1.2752
C 1.0199 -0.4742 -1.5395
C 0.3963 -0.6804 -0.1459
N -4.7585 -3.7336 -0.0009
N -2.7069 -4.7762 0.0564
N -0.6873 -3.5700 -0.0087
N -3.2042 -1.1421 -0.2350
N -0.9656 -1.1329 -0.1737
O 3.4604 -0.0049 -1.3290
O 1.4762 -1.6871 -2.1346
O 1.3496 4.7092 3.2128
O 0.6069 5.2224 1.0451
O 2.8950 5.1887 1.5383
O 0.5364 0.6067 0.4705
O 1.6782 3.1419 1.4352
P 1.6316 4.5516 1.8089
H -0.8196 -5.6279 0.1211
H -2.1119 0.6283 -0.3748
H 2.8853 2.9523 -0.1458
H 1.1453 3.0270 -0.4921
H 2.5439 0.6946 0.8767
H 2.1063 1.3192 -2.0491
H 0.2787 -0.0313 -2.2130
H 1.0012 -1.3965 0.4258
H -5.1659 -4.5751 -0.0241
H -5.2868 -2.9641 0.0443
H 4.0547 0.7478 -1.1212
H 0.6769 -2.2441 -2.2384
H 0.5725 4.4617 3.5421
H 0.5620 6.1001 1.0251

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

AMP_3322

0 1