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	hartrees
Energy at 0K	-171.014596
Energy at 298.15K	-171.021066
HF Energy	-171.014596
Nuclear repulsion energy	81.412469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3718	3718	11.94
2	A	3515	3515	1.26
3	A	3424	3424	2.07
4	A	3063	3063	28.83
5	A	2980	2980	59.40
6	A	1621	1621	22.63
7	A	1449	1449	0.23
8	A	1377	1377	32.72
9	A	1347	1347	2.08
10	A	1319	1319	2.02
11	A	1132	1132	30.21
12	A	1069	1069	28.00
13	A	925	925	239.67
14	A	890	890	2.93
15	A	779	779	136.66
16	A	461	461	42.58
17	A	393	393	80.97
18	A	271	271	63.28

Atom	x (Å)	y (Å)	z (Å)
N1	1.238	-0.162	-0.021
C2	-0.024	0.539	0.048
O3	-1.219	-0.263	-0.116
H4	1.297	-0.719	-0.874
H5	1.366	-0.793	0.771
H6	-0.060	1.087	1.008
H7	-0.075	1.263	-0.779
H8	-1.301	-0.838	0.660

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4447	2.4604	1.0207	1.0205	2.0741	2.0798	2.7140
C2	1.4447		1.4483	2.0439	2.0556	1.1052	1.1003	1.9751
O3	2.4604	1.4483		2.6669	2.7831	2.1037	2.0186	0.9696
H4	1.0207	2.0439	2.6669		1.6482	2.9400	2.4116	3.0196
H5	1.0205	2.0556	2.7831	1.6482		2.3711	2.9496	2.6690
H6	2.0741	1.1052	2.1037	2.9400	2.3711		1.7951	2.3162
H7	2.0798	1.1003	2.0186	2.4116	2.9496	1.7951		2.8260
H8	2.7140	1.9751	0.9696	3.0196	2.6690	2.3162	2.8260

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.525	N1	C2	H6	108.120
N1	C2	H7	108.859	C2	N1	H4	110.822
C2	N1	H5	111.834	C2	O3	H8	107.903
O3	C2	H6	110.220	O3	C2	H7	103.914
H4	N1	H5	107.697	H6	C2	H7	108.962

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B97D3/aug-cc-pVDZ

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	-0.082
2	C	1.104
3	O	-0.420
4	H	-0.051
5	H	-0.068
6	H	-0.262
7	H	-0.307
8	H	0.087

	x	y	z	Total
	0.432	-0.955	1.194	1.589
CHELPG
AIM
ESP

	x	y	z
x	5.514	0.081	-0.074
y	0.081	4.773	-0.040
z	-0.074	-0.040	4.405

<r²>	50.794
(<r²>)^1/2	7.127

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)