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	hartrees
Energy at 0K	-171.159992
Energy at 298.15K	-171.166490
HF Energy	-171.159992
Nuclear repulsion energy	82.031578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3805	3681	21.84
2	A	3590	3474	4.99
3	A	3507	3393	2.20
4	A	3100	3000	23.24
5	A	3029	2931	49.02
6	A	1664	1610	27.45
7	A	1505	1456	0.13
8	A	1417	1371	29.15
9	A	1384	1339	1.28
10	A	1362	1318	7.46
11	A	1152	1115	36.21
12	A	1090	1055	32.07
13	A	974	942	235.00
14	A	906	877	3.29
15	A	783	757	152.42
16	A	475	459	44.87
17	A	387	374	76.32
18	A	266	257	75.99

Atom	x (Å)	y (Å)	z (Å)
N1	1.227	-0.162	-0.019
C2	-0.027	0.534	0.048
O3	-1.207	-0.263	-0.117
H4	1.315	-0.696	-0.873
H5	1.376	-0.779	0.769
H6	-0.069	1.075	0.996
H7	-0.074	1.255	-0.766
H8	-1.318	-0.826	0.655

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4359	2.4388	1.0118	1.0115	2.0592	2.0636	2.7159
C2	1.4359		1.4341	2.0407	2.0523	1.0927	1.0882	1.9713
O3	2.4388	1.4341		2.6689	2.7794	2.0804	2.0024	0.9624
H4	1.0118	2.0407	2.6689		1.6451	2.9240	2.3977	3.0479
H5	1.0115	2.0523	2.7794	1.6451		2.3615	2.9316	2.6971
H6	2.0592	1.0927	2.0804	2.9240	2.3615		1.7715	2.3003
H7	2.0636	1.0882	2.0024	2.3977	2.9316	1.7715		2.8104
H8	2.7159	1.9713	0.9624	3.0479	2.6971	2.3003	2.8104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.374	N1	C2	H6	108.284
N1	C2	H7	108.902	C2	N1	H4	111.795
C2	N1	H5	112.824	C2	O3	H8	109.105
O3	C2	H6	110.113	O3	C2	H7	104.264
H4	N1	H5	108.795	H6	C2	H7	108.641

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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	-0.375
2	C	-0.003
3	O	-0.476
4	H	0.072
5	H	0.068
6	H	0.272
7	H	0.318
8	H	0.125

	x	y	z	Total
	0.432	-0.944	1.248	1.623
CHELPG
AIM
ESP

	x	y	z
x	5.208	0.064	-0.073
y	0.064	4.577	-0.047
z	-0.073	-0.047	4.255

<r²>	50.266
(<r²>)^1/2	7.090

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)