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	hartrees
Energy at 0K	-171.050385
Energy at 298.15K	-171.056913
HF Energy	-171.050385
Nuclear repulsion energy	81.621356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3724	3670	8.38
2	A	3534	3484	1.00
3	A	3444	3394	0.56
4	A	3059	3015	31.18
5	A	2971	2928	66.45
6	A	1646	1623	28.73
7	A	1469	1448	0.11
8	A	1400	1380	35.96
9	A	1361	1342	1.90
10	A	1337	1318	2.46
11	A	1140	1124	25.20
12	A	1066	1051	31.65
13	A	918	905	254.65
14	A	898	885	2.54
15	A	776	764	165.46
16	A	469	462	54.81
17	A	415	409	95.55
18	A	296	292	72.04

Atom	x (Å)	y (Å)	z (Å)
N1	1.233	-0.162	-0.022
C2	-0.024	0.536	0.048
O3	-1.220	-0.261	-0.114
H4	1.304	-0.711	-0.875
H5	1.380	-0.779	0.772
H6	-0.055	1.082	1.003
H7	-0.074	1.259	-0.771
H8	-1.286	-0.849	0.652

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4400	2.4565	1.0162	1.0160	2.0633	2.0715	2.6964
C2	1.4400		1.4460	2.0422	2.0552	1.0996	1.0936	1.9684
O3	2.4565	1.4460		2.6739	2.7945	2.0988	2.0132	0.9676
H4	1.0162	2.0422	2.6739		1.6498	2.9299	2.4065	3.0093
H5	1.0160	2.0552	2.7945	1.6498		2.3608	2.9408	2.6692
H6	2.0633	1.0996	2.0988	2.9299	2.3608		1.7824	2.3160
H7	2.0715	1.0936	2.0132	2.4065	2.9408	1.7824		2.8167
H8	2.6964	1.9684	0.9676	3.0093	2.6692	2.3160	2.8167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.673	N1	C2	H6	107.924
N1	C2	H7	108.921	C2	N1	H4	111.328
C2	N1	H5	112.461	C2	O3	H8	107.623
O3	C2	H6	110.327	O3	C2	H7	104.012
H4	N1	H5	108.556	H6	C2	H7	108.725

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B97D3/TZVP

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	-0.400
2	C	-0.096
3	O	-0.368
4	H	0.199
5	H	0.192
6	H	0.109
7	H	0.125
8	H	0.239

	x	y	z	Total
	0.520	-1.142	1.298	1.805
CHELPG
AIM
ESP

	x	y	z
x	4.424	-0.033	-0.088
y	-0.033	3.945	-0.128
z	-0.088	-0.128	3.835

<r²>	50.470
(<r²>)^1/2	7.104

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)