#P HF/6-31G(d) opt

HF/6-31G(d) optimized geometry alanine

0 1
 N
 H,1,B1
 C,1,B2,2,A1
 H,3,B3,1,A2,2,D1,0
 C,3,B4,1,A3,2,D2,0
 C,3,B5,1,A4,2,D3,0
 H,5,B6,3,A5,1,D4,0
 H,5,B7,3,A6,1,D5,0
 H,5,B8,3,A7,1,D6,0
 O,6,B9,3,A8,1,D7,0
 H,1,B10,2,A9,3,D8,0
 O,6,B11,3,A10,1,D9,0
 H,12,B12,6,A11,3,D10,0

 B1=1.00034324
 B2=1.44741566
 B3=1.09412053
 B4=1.52852433
 B5=1.51645436
 B6=1.08357906
 B7=1.08207163
 B8=1.08498513
 B9=1.1879393
 B10=1.00045513
 B11=1.3290449
 B12=0.95242697
 A1=111.19475503
 A2=113.22981228
 A3=110.06041953
 A4=108.47088193
 A5=110.2478989
 A6=111.63599456
 A7=109.30454322
 A8=124.98521175
 A9=108.64082462
 A10=112.68118448
 A11=107.9910224
 D1=73.62740634
 D2=-165.14521074
 D3=-41.46023015
 D4=60.56495707
 D5=-177.75934323
 D6=-57.8631699
 D7=16.62337968
 D8=122.09569151
 D9=-166.4930412
 D10=-177.20941747