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	hartrees
Energy at 0K	-168.778306
Energy at 298.15K	-168.784754
HF Energy	-168.778306
Nuclear repulsion energy	79.879711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3775	3318	37.42
2	A	3737	3285	9.16
3	A	3550	3120	13.54
4	A	3447	3030	1.49
5	A	3315	2913	14.00
6	A	1880	1652	4.61
7	A	1642	1443	0.39
8	A	1598	1404	13.73
9	A	1506	1323	1.14
10	A	1485	1305	21.62
11	A	1248	1097	0.58
12	A	1205	1059	5.16
13	A	1124	988	72.22
14	A	948	833	13.12
15	A	931	818	76.53
16	A	453	398	38.10
17	A	405	356	85.43
18	A	327	287	36.27

Atom	x (Å)	y (Å)	z (Å)
N1	1.281	-0.156	-0.014
C2	-0.044	0.556	0.054
O3	-1.228	-0.275	-0.129
H4	1.239	-0.724	-0.904
H5	1.241	-0.901	0.735
H6	-0.065	1.110	1.019
H7	-0.065	1.293	-0.773
H8	-1.235	-0.825	0.732

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.5055	2.5140	1.0562	1.0572	2.1171	2.1179	2.7083
C2	1.5055		1.4580	2.0501	2.0587	1.1126	1.1079	1.9459
O3	2.5140	1.4580		2.6244	2.6895	2.1414	2.0551	1.0217
H4	1.0562	2.0501	2.6244		1.6479	2.9600	2.4050	2.9679
H5	1.0572	2.0587	2.6895	1.6479		2.4148	2.9651	2.4776
H6	2.1171	1.1126	2.1414	2.9600	2.4148		1.8019	2.2788
H7	2.1179	1.1079	2.0551	2.4050	2.9651	1.8019		2.8494
H8	2.7083	1.9459	1.0217	2.9679	2.4776	2.2788	2.8494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.045	N1	C2	H6	106.963
N1	C2	H7	107.291	C2	N1	H4	104.952
C2	N1	H5	105.559	C2	O3	H8	101.946
O3	C2	H6	112.128	O3	C2	H7	105.630
H4	N1	H5	102.467	H6	C2	H7	108.485

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: mPW1PW91/STO-3G

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	-0.376
2	C	-0.004
3	O	-0.255
4	H	0.159
5	H	0.147
6	H	0.074
7	H	0.089
8	H	0.165

	x	y	z	Total
	-0.386	-1.161	0.965	1.558
CHELPG
AIM
ESP

	x	y	z
x	1.806	-0.035	-0.125
y	-0.035	1.821	-0.272
z	-0.125	-0.272	1.970

<r²>	50.565
(<r²>)^1/2	7.111

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)