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

FMN_3361

0 1
P -3.0589 0.2746 -6.1860
O -2.2457 -0.0799 -5.0341
O -2.5071 -0.3322 -7.3687
O -4.4084 -0.1940 -5.9771
O -3.0354 -0.2238 -0.9485
O -0.1085 0.0929 -3.2002
O 0.6070 0.0575 -0.5753
O -3.0757 1.7049 -6.3628
O -2.3280 -4.3661 2.3076
O 2.0483 -4.5125 2.1069
N -0.1079 -0.4504 2.0806
N -0.1240 -4.4408 2.1999
N -1.2285 -2.4740 2.2681
N 2.1804 -1.7649 2.3709
C -1.7197 0.1863 -1.3314
C -1.4194 -0.2923 -2.7819
C -0.7326 -0.3335 -0.2633
C -2.4579 0.2913 -3.7658
C -1.0699 0.1101 1.1955
C 2.0683 3.8383 3.1595
C 4.8217 2.2428 3.0434
C -1.2572 -3.7816 2.2768
C -0.1292 -1.7787 2.2502
C 1.0409 -3.8249 2.1932
C 1.0896 -2.4535 2.2766
C 0.9906 0.2773 2.4434
C 2.2211 -0.4308 2.4863
C 2.2340 2.3769 2.9198
C 3.4647 1.6583 2.8730
C 1.0275 1.6650 2.7109
C 3.4343 0.2579 2.6578
H -5.0823 0.1668 -6.4105
H -1.6897 -0.1282 -7.6226
H -3.0121 -1.2046 -0.9472
H 0.0484 -0.3645 -4.0531
H 0.6153 1.0363 -0.5299
H -0.1507 -5.3734 2.1404
H -1.6978 1.2793 -1.3045
H -1.4583 -1.3859 -2.8152
H -0.7499 -1.4248 -0.3313
H -2.4235 1.3830 -3.6822
H -3.4499 -0.0463 -3.4479
H -2.0863 -0.1795 1.4803
H -1.1183 1.2000 1.1849
H 1.6105 4.3067 2.2850
H 1.4128 4.0034 4.0174
H 2.9772 4.3939 3.3664
H 5.4141 2.0781 2.1415
H 5.3266 1.7614 3.8835
H 4.8564 3.3101 3.2411
H 0.1411 2.1741 2.7526
H 4.3020 -0.2860 2.6261

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

FMN_3361

0 1