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	hartrees
Energy at 0K	-170.955643
Energy at 298.15K	-170.962176
HF Energy	-170.955643
Nuclear repulsion energy	82.523835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3892	3892	25.92
2	A	3638	3638	6.35
3	A	3551	3551	2.15
4	A	3114	3114	23.35
5	A	3040	3040	50.38
6	A	1662	1662	31.07
7	A	1503	1503	0.23
8	A	1421	1421	33.12
9	A	1385	1385	1.14
10	A	1368	1368	6.46
11	A	1167	1167	46.32
12	A	1115	1115	27.55
13	A	1029	1029	218.59
14	A	908	908	3.10
15	A	795	795	154.79
16	A	482	482	48.49
17	A	393	393	83.09
18	A	272	272	75.87

Atom	x (Å)	y (Å)	z (Å)
N1	1.219	-0.158	-0.020
C2	-0.032	0.530	0.048
O3	-1.196	-0.262	-0.115
H4	1.298	-0.699	-0.871
H5	1.365	-0.776	0.767
H6	-0.071	1.075	0.997
H7	-0.078	1.257	-0.764
H8	-1.289	-0.837	0.646

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4296	2.4193	1.0115	1.0111	2.0538	2.0591	2.6828
C2	1.4296		1.4176	2.0304	2.0432	1.0952	1.0905	1.9517
O3	2.4193	1.4176		2.6417	2.7568	2.0719	1.9946	0.9584
H4	1.0115	2.0304	2.6417		1.6408	2.9169	2.3942	3.0017
H5	1.0111	2.0432	2.7568	1.6408		2.3539	2.9258	2.6576
H6	2.0538	1.0952	2.0719	2.9169	2.3539		1.7701	2.2950
H7	2.0591	1.0905	1.9946	2.3942	2.9258	1.7701		2.8001
H8	2.6828	1.9517	0.9584	3.0017	2.6576	2.2950	2.8001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.360	N1	C2	H6	108.146
N1	C2	H7	108.848	C2	N1	H4	111.414
C2	N1	H5	112.557	C2	O3	H8	108.915
O3	C2	H6	110.422	O3	C2	H7	104.604
H4	N1	H5	108.439	H6	C2	H7	108.163

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBE1PBE/6-311+G(3df,2p)

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	-0.825
2	C	0.700
3	O	-0.599
4	H	0.179
5	H	0.173
6	H	0.092
7	H	0.091
8	H	0.188

	x	y	z	Total
	0.382	-1.033	1.249	1.665
CHELPG
AIM
ESP

	x	y	z
x	4.907	0.033	-0.056
y	0.033	4.337	-0.041
z	-0.056	-0.041	4.024

<r²>	49.592
(<r²>)^1/2	7.042

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBE1PBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)