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	hartrees
Energy at 0K	-171.085181
Energy at 298.15K	-171.091788
HF Energy	-171.085181
Nuclear repulsion energy	81.934883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3752	3640	10.89
2	A	3535	3429	0.28
3	A	3456	3353	0.96
4	A	3090	2997	35.17
5	A	3000	2910	73.26
6	A	1655	1605	16.66
7	A	1479	1434	0.36
8	A	1417	1374	46.71
9	A	1381	1339	1.98
10	A	1367	1326	1.71
11	A	1164	1129	25.11
12	A	1107	1073	24.76
13	A	1016	985	233.83
14	A	912	884	3.35
15	A	851	826	130.80
16	A	476	462	47.45
17	A	417	404	94.05
18	A	307	298	58.44

Atom	x (Å)	y (Å)	z (Å)
N1	1.232	-0.156	-0.022
C2	-0.032	0.536	0.048
O3	-1.203	-0.263	-0.114
H4	1.260	-0.731	-0.868
H5	1.334	-0.801	0.765
H6	-0.060	1.095	1.003
H7	-0.080	1.266	-0.775
H8	-1.265	-0.848	0.656

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4425	2.4390	1.0229	1.0229	2.0701	2.0764	2.6784
C2	1.4425		1.4270	2.0279	2.0415	1.1071	1.1011	1.9510
O3	2.4390	1.4270		2.6180	2.7386	2.0970	2.0089	0.9695
H4	1.0229	2.0279	2.6180		1.6361	2.9286	2.4072	2.9518
H5	1.0229	2.0415	2.7386	1.6361		2.3651	2.9403	2.6018
H6	2.0701	1.1071	2.0970	2.9286	2.3651		1.7864	2.3118
H7	2.0764	1.1011	2.0089	2.4072	2.9403	1.7864		2.8146
H8	2.6784	1.9510	0.9695	2.9518	2.6018	2.3118	2.8146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.420	N1	C2	H6	107.849
N1	C2	H7	108.697	C2	N1	H4	109.507
C2	N1	H5	110.645	C2	O3	H8	107.454
O3	C2	H6	111.057	O3	C2	H7	104.498
H4	N1	H5	106.210	H6	C2	H7	107.996

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYPultrafine/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	-0.178
2	C	0.153
3	O	-0.276
4	H	0.074
5	H	0.064
6	H	0.011
7	H	0.031
8	H	0.120

	x	y	z	Total
	0.290	-1.158	1.185	1.682
CHELPG
AIM
ESP

	x	y	z
x	3.588	-0.108	-0.110
y	-0.108	3.463	-0.177
z	-0.110	-0.177	3.435

<r²>	49.629
(<r²>)^1/2	7.045

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)