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	hartrees
Energy at 0K	-170.990623
Energy at 298.15K	-170.997242
HF Energy	-170.990623
Nuclear repulsion energy	82.462038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3805	3612	10.73
2	A	3619	3436	0.82
3	A	3527	3348	0.50
4	A	3158	2998	33.45
5	A	3067	2911	67.68
6	A	1712	1625	26.36
7	A	1532	1454	0.13
8	A	1447	1374	48.70
9	A	1410	1338	1.50
10	A	1398	1327	3.64
11	A	1184	1124	31.47
12	A	1133	1075	27.63
13	A	1055	1002	236.85
14	A	918	871	3.15
15	A	860	816	168.77
16	A	480	455	52.51
17	A	428	407	118.27
18	A	308	292	73.00

Atom	x (Å)	y (Å)	z (Å)
N1	1.224	-0.156	-0.020
C2	-0.033	0.530	0.048
O3	-1.195	-0.262	-0.116
H4	1.268	-0.710	-0.869
H5	1.339	-0.793	0.761
H6	-0.064	1.081	0.996
H7	-0.076	1.255	-0.766
H8	-1.278	-0.830	0.660

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4340	2.4241	1.0146	1.0146	2.0548	2.0589	2.6795
C2	1.4340		1.4165	2.0181	2.0348	1.0965	1.0906	1.9431
O3	2.4241	1.4165		2.6148	2.7338	2.0786	1.9941	0.9653
H4	1.0146	2.0181	2.6148		1.6336	2.9087	2.3838	2.9724
H5	1.0146	2.0348	2.7338	1.6336		2.3524	2.9203	2.6190
H6	2.0548	1.0965	2.0786	2.9087	2.3524		1.7699	2.2889
H7	2.0589	1.0906	1.9941	2.3838	2.9203	1.7699		2.7973
H8	2.6795	1.9431	0.9653	2.9724	2.6190	2.2889	2.7973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.512	N1	C2	H6	107.842
N1	C2	H7	108.516	C2	N1	H4	109.830
C2	N1	H5	111.252	C2	O3	H8	107.830
O3	C2	H6	110.969	O3	C2	H7	104.632
H4	N1	H5	107.231	H6	C2	H7	108.044

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B1B95/6-31G*

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	-0.722
2	C	0.003
3	O	-0.619
4	H	0.318
5	H	0.304
6	H	0.150
7	H	0.178
8	H	0.388

	x	y	z	Total
	0.215	-1.280	1.310	1.844
CHELPG
AIM
ESP

	x	y	z
x	3.342	-0.123	-0.088
y	-0.123	3.187	-0.184
z	-0.088	-0.184	3.285

<r²>	49.189
(<r²>)^1/2	7.013

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)