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	hartrees
Energy at 0K	-34.527522
Energy at 298.15K	-34.534050
HF Energy	-34.527522
Nuclear repulsion energy	48.959873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3782	3652	7.31
2	A	3576	3454	0.38
3	A	3483	3363	0.82
4	A	3134	3027	40.45
5	A	3048	2943	80.23
6	A	1683	1625	28.71
7	A	1493	1441	0.22
8	A	1421	1372	48.88
9	A	1376	1329	1.95
10	A	1361	1315	4.11
11	A	1148	1108	36.19
12	A	1085	1048	31.39
13	A	995	961	269.46
14	A	899	869	3.28
15	A	836	807	143.46
16	A	464	448	44.57
17	A	406	392	115.44
18	A	293	283	84.76

Atom	x (Å)	y (Å)	z (Å)
N1	1.248	-0.161	-0.017
C2	-0.029	0.541	0.049
O3	-1.218	-0.268	-0.121
H4	1.296	-0.711	-0.881
H5	1.352	-0.811	0.768
H6	-0.069	1.091	1.009
H7	-0.073	1.266	-0.779
H8	-1.324	-0.816	0.678

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4589	2.4697	1.0246	1.0249	2.0865	2.0879	2.7436
C2	1.4589		1.4474	2.0466	2.0628	1.1066	1.1009	1.9786
O3	2.4697	1.4474		2.6633	2.7728	2.1069	2.0236	0.9747
H4	1.0246	2.0466	2.6633		1.6523	2.9460	2.4066	3.0507
H5	1.0249	2.0628	2.7728	1.6523		2.3867	2.9559	2.6779
H6	2.0865	1.1066	2.1069	2.9460	2.3867		1.7962	2.3063
H7	2.0879	1.1009	2.0236	2.4066	2.9559	1.7962		2.8323
H8	2.7436	1.9786	0.9747	3.0507	2.6779	2.3063	2.8323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.377	N1	C2	H6	108.056
N1	C2	H7	108.498	C2	N1	H4	109.758
C2	N1	H5	111.099	C2	O3	H8	107.952
O3	C2	H6	110.448	O3	C2	H7	104.312
H4	N1	H5	107.454	H6	C2	H7	108.910

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYP/CEP-31G*

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	-0.444
2	C	-0.391
3	O	-0.426
4	H	0.273
5	H	0.256
6	H	0.176
7	H	0.203
8	H	0.353

	x	y	z	Total
	0.271	-1.217	1.400	1.874
CHELPG
AIM
ESP

	x	y	z
x	3.631	-0.077	-0.072
y	-0.077	3.221	-0.187
z	-0.072	-0.187	3.360

<r²>	43.784
(<r²>)^1/2	6.617

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)