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	hartrees
Energy at 0K	-34.538045
Energy at 298.15K	-34.544594
HF Energy	-34.538045
Nuclear repulsion energy	49.112454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3761	3646	5.49
2	A	3555	3446	0.62
3	A	3467	3361	1.67
4	A	3110	3015	39.71
5	A	3022	2929	76.84
6	A	1702	1650	34.83
7	A	1503	1457	0.07
8	A	1429	1385	53.82
9	A	1387	1344	1.20
10	A	1370	1328	3.45
11	A	1155	1119	28.63
12	A	1081	1048	29.87
13	A	991	961	286.90
14	A	908	880	3.16
15	A	841	816	149.15
16	A	468	454	49.21
17	A	411	398	114.34
18	A	289	280	77.31

Atom	x (Å)	y (Å)	z (Å)
N1	1.242	-0.162	-0.021
C2	-0.028	0.542	0.047
O3	-1.216	-0.266	-0.117
H4	1.285	-0.722	-0.872
H5	1.361	-0.793	0.772
H6	-0.064	1.088	1.002
H7	-0.075	1.264	-0.774
H8	-1.301	-0.832	0.668

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4542	2.4627	1.0202	1.0204	2.0771	2.0822	2.7191
C2	1.4542		1.4459	2.0421	2.0585	1.1002	1.0945	1.9731
O3	2.4627	1.4459		2.6529	2.7766	2.1007	2.0189	0.9712
H4	1.0202	2.0421	2.6529		1.6473	2.9344	2.4100	3.0123
H5	1.0204	2.0585	2.7766	1.6473		2.3710	2.9467	2.6645
H6	2.0771	1.1002	2.1007	2.9344	2.3710		1.7840	2.3088
H7	2.0822	1.0945	2.0189	2.4100	2.9467	1.7840		2.8243
H8	2.7191	1.9731	0.9712	3.0123	2.6645	2.3088	2.8243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.248	N1	C2	H6	108.008
N1	C2	H7	108.745	C2	N1	H4	110.003
C2	N1	H5	111.368	C2	O3	H8	107.813
O3	C2	H6	110.451	O3	C2	H7	104.400
H4	N1	H5	107.660	H6	C2	H7	108.752

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYP/CEP-121G*

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	-0.591
2	C	-0.186
3	O	-0.525
4	H	0.304
5	H	0.293
6	H	0.153
7	H	0.175
8	H	0.377

	x	y	z	Total
	0.343	-1.216	1.376	1.868
CHELPG
AIM
ESP

	x	y	z
x	3.976	-0.059	-0.098
y	-0.059	3.710	-0.165
z	-0.098	-0.165	3.703

<r²>	43.750
(<r²>)^1/2	6.614

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3LYP/CEP-121G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)