Basis Sets 5-31G

Atom Bond Bond Angle Angle (°) 2nd 2nd 2nd

Atom Length Atom Angle Angle (°) Angle
(Å) Atom Type
C(1)
C(6) C(1) 1.3948
C(7) C(6) 1.3949 C(1) 119.9969
C(8) C(7) 1.3948 C(6) 120.0002 C(1) -0.0058 Dihedral
C(9) C(8) 1.3948 C(7) 120.0033 C(6) 0.0012 Dihedral
C(10) C(1) 1.3948 C(6) 120.0029 C(7) 0.0058 Dihedral
C(2) C(1) 1.3370 C(6) 119.9986 C(10) 119.9986 Pro-R
N(3) C(2) 1.3000 C(1) 120.0000 C(6) -141.1646 Dihedral
O(4) N(3) 1.3160 C(2) 120.0000 C(1) 0.0000 Dihedral
C(5) N(3) 1.5000 C(2) 120.0000 O(4) 120.0000 Pro-S
C(11) C(5) 1.5230 N(3) 109.5000 C(2) -180.0000 Dihedral
C(12) C(5) 1.5230 N(3) 109.4418 C(11) 109.4418 Pro-S
C(13) C(5) 1.5230 N(3) 109.4618 C(11) 109.4618 Pro-R
H(15) C(6) 1.1000 C(1) 120.0015 C(7) 120.0015 Pro-R
H(16) C(7) 1.1000 C(6) 119.9999 C(8) 119.9999 Pro-R
H(17) C(8) 1.1000 C(7) 119.9984 C(9) 119.9984 Pro-S
H(18) C(9) 1.1000 C(8) 120.0014 C(10) 120.0014 Pro-S
H(19) C(10) 1.1000 C(1) 120.0002 C(9) 120.0002 Pro-S
H(14) C(2) 1.1000 C(1) 120.0000 N(3) 120.0000 Pro-R
H(20) C(11) 1.1130 C(5) 109.5000 N(3) 180.0000 Dihedral
H(21) C(11) 1.1130 C(5) 109.4418 H(20) 109.4418 Pro-S
H(22) C(11) 1.1130 C(5) 109.4618 H(20) 109.4618 Pro-R
H(23) C(12) 1.1130 C(5) 109.5000 N(3) -180.0000 Dihedral
H(24) C(12) 1.1130 C(5) 109.4418 H(23) 109.4418 Pro-R
H(25) C(12) 1.1130 C(5) 109.4618 H(23) 109.4618 Pro-S
H(26) C(13) 1.1130 C(5) 109.5000 N(3) 180.0000 Dihedral
H(27) C(13) 1.1130 C(5) 109.4418 H(26) 109.4418 Pro-R
H(28) C(13) 1.1130 C(5) 109.4618 H(26) 109.4618 Pro-S