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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	²B₁
1	2	no	CS	²A^'

	hartrees
Energy at 0K	-130.903606
Energy at 298.15K
HF Energy	-130.447463
Nuclear repulsion energy	35.219863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3475	3368
2	A₁	1670	1619
3	A₁	1450	1405
4	B₁	206i	200i
5	B₂	3624	3512
6	B₂	1262	1223

Atom	y (Å)	z (Å)
N1	0.000	-0.538
O2	0.000	0.732
H3	0.875	-1.045
H4	-0.875	-1.045

	N1	O2	H3	H4
N1		1.2707	1.0114	1.0114
O2	1.2707		1.9815	1.9815
H3	1.0114	1.9815		1.7502
H4	1.0114	1.9815	1.7502

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: MP4/cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-130.903356
Energy at 298.15K
HF Energy	-130.447109
Nuclear repulsion energy	35.315867

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	120.090		O2	N1	H4	120.090
H3	N1	H4	119.821

All results from a given calculation for H2NO (nitroxide)

using model chemistry: MP4/cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)