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	hartrees
Energy at 0K	-170.909323
Energy at 298.15K	-170.915769
HF Energy	-170.909323
Nuclear repulsion energy	81.339287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3685	3662	12.78
2	A	3504	3483	2.53
3	A	3412	3392	1.88
4	A	3046	3028	22.52
5	A	2966	2948	50.64
6	A	1596	1586	23.95
7	A	1423	1414	0.43
8	A	1356	1348	30.12
9	A	1328	1319	2.60
10	A	1301	1293	1.80
11	A	1123	1117	40.15
12	A	1072	1066	22.44
13	A	937	931	220.51
14	A	875	870	3.06
15	A	761	757	145.35
16	A	456	453	44.49
17	A	391	388	77.91
18	A	267	266	65.62

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	1.375	-0.790	0.776
H6	-0.060	1.089	1.009
H7	-0.076	1.263	-0.781
H8	-1.310	-0.832	0.669

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4430	2.4606	1.0250	1.0247	2.0754	2.0811	2.7237
C2	1.4430		1.4465	2.0481	2.0605	1.1095	1.1048	1.9773
O3	2.4606	1.4465		2.6733	2.7939	2.1071	2.0193	0.9747
H4	1.0250	2.0481	2.6733		1.6569	2.9478	2.4168	3.0385
H5	1.0247	2.0605	2.7939	1.6569		2.3759	2.9575	2.6881
H6	2.0754	1.1095	2.1071	2.9478	2.3759		1.7994	2.3174
H7	2.0811	1.1048	2.0193	2.4168	2.9575	1.7994		2.8316
H8	2.7237	1.9773	0.9747	3.0385	2.6881	2.3174	2.8316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.762	N1	C2	H6	108.088
N1	C2	H7	108.811	C2	N1	H4	111.034
C2	N1	H5	112.115	C2	O3	H8	107.913
O3	C2	H6	110.358	O3	C2	H7	103.835
H4	N1	H5	107.880	H6	C2	H7	108.705

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBEultrafine/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
	0.433	-0.967	1.206	1.605
CHELPG
AIM
ESP

	x	y	z
x	5.628	0.079	-0.082
y	0.079	4.856	-0.041
z	-0.082	-0.041	4.480

<r²>	50.949
(<r²>)^1/2	7.138

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)