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	hartrees
Energy at 0K	-170.909323
Energy at 298.15K	-170.915771
HF Energy	-170.909323
Nuclear repulsion energy	81.338338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3687	3664	12.71
2	A	3504	3482	2.53
3	A	3412	3391	1.90
4	A	3046	3027	22.46
5	A	2966	2948	50.57
6	A	1596	1586	23.96
7	A	1422	1414	0.43
8	A	1356	1348	30.08
9	A	1328	1319	2.56
10	A	1300	1293	1.80
11	A	1123	1117	40.26
12	A	1072	1066	22.24
13	A	936	931	220.58
14	A	875	870	3.14
15	A	761	756	145.65
16	A	457	454	43.57
17	A	394	391	79.24
18	A	267	265	65.05

Atom	x (Å)	y (Å)	z (Å)
N1	1.238	-0.161	-0.021
C2	-0.024	0.536	0.048
O3	-1.219	-0.263	-0.117
H4	1.303	-0.719	-0.878
H5	1.376	-0.790	0.776
H6	-0.060	1.089	1.009
H7	-0.076	1.263	-0.781
H8	-1.311	-0.832	0.669

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4429	2.4606	1.0250	1.0247	2.0754	2.0811	2.7239
C2	1.4429		1.4466	2.0481	2.0605	1.1095	1.1048	1.9773
O3	2.4606	1.4466		2.6737	2.7941	2.1071	2.0193	0.9747
H4	1.0250	2.0481	2.6737		1.6570	2.9479	2.4167	3.0394
H5	1.0247	2.0605	2.7941	1.6570		2.3761	2.9575	2.6886
H6	2.0754	1.1095	2.1071	2.9479	2.3761		1.7994	2.3171
H7	2.0811	1.1048	2.0193	2.4167	2.9575	1.7994		2.8315
H8	2.7239	1.9773	0.9747	3.0394	2.6886	2.3171	2.8315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.763	N1	C2	H6	108.096
N1	C2	H7	108.814	C2	N1	H4	111.048
C2	N1	H5	112.129	C2	O3	H8	107.905
O3	C2	H6	110.350	O3	C2	H7	103.829
H4	N1	H5	107.888	H6	C2	H7	108.707

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBE/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	-0.078
2	C	1.044
3	O	-0.393
4	H	-0.048
5	H	-0.065
6	H	-0.249
7	H	-0.297
8	H	0.086

	x	y	z	Total
	0.434	-0.966	1.206	1.605
CHELPG
AIM
ESP

	x	y	z
x	5.629	0.079	-0.082
y	0.079	4.853	-0.040
z	-0.082	-0.040	4.480

<r²>	50.951
(<r²>)^1/2	7.138

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)