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	hartrees
Energy at 0K	-170.945858
Energy at 298.15K	-170.952343
HF Energy	-170.945858
Nuclear repulsion energy	81.645178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3691	3666	9.73
2	A	3496	3472	0.89
3	A	3411	3388	0.93
4	A	3022	3001	26.90
5	A	2944	2924	58.73
6	A	1613	1602	21.75
7	A	1448	1438	0.07
8	A	1370	1361	30.70
9	A	1341	1332	1.97
10	A	1323	1314	1.92
11	A	1129	1121	24.95
12	A	1072	1065	22.27
13	A	948	941	225.14
14	A	880	874	3.95
15	A	788	782	156.65
16	A	462	459	45.64
17	A	398	395	83.65
18	A	275	273	60.71

Atom	x (Å)	y (Å)	z (Å)
N1	1.236	-0.159	-0.022
C2	-0.027	0.534	0.047
O3	-1.214	-0.262	-0.116
H4	1.284	-0.726	-0.870
H5	1.363	-0.785	0.774
H6	-0.057	1.088	1.001
H7	-0.076	1.259	-0.776
H8	-1.292	-0.833	0.667

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4420	2.4546	1.0213	1.0210	2.0676	2.0739	2.7060
C2	1.4420		1.4391	2.0365	2.0495	1.1035	1.0983	1.9631
O3	2.4546	1.4391		2.6512	2.7768	2.0997	2.0115	0.9716
H4	1.0213	2.0365	2.6512		1.6472	2.9312	2.4083	3.0022
H5	1.0210	2.0495	2.7768	1.6472		2.3622	2.9418	2.6583
H6	2.0676	1.1035	2.0997	2.9312	2.3622		1.7852	2.3081
H7	2.0739	1.0983	2.0115	2.4083	2.9418	1.7852		2.8173
H8	2.7060	1.9631	0.9716	3.0022	2.6583	2.3081	2.8173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.852	N1	C2	H6	107.898
N1	C2	H7	108.699	C2	N1	H4	110.367
C2	N1	H5	111.486	C2	O3	H8	107.453
O3	C2	H6	110.653	O3	C2	H7	104.072
H4	N1	H5	107.516	H6	C2	H7	108.351

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	-0.285
2	C	0.036
3	O	-0.314
4	H	0.129
5	H	0.118
6	H	0.058
7	H	0.086
8	H	0.172

	x	y	z	Total
	0.373	-1.072	1.193	1.647
CHELPG
AIM
ESP

	x	y	z
x	4.539	-0.065	-0.116
y	-0.065	4.099	-0.134
z	-0.116	-0.134	3.962

<r²>	50.289
(<r²>)^1/2	7.092

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)