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	hartrees
Energy at 0K	-170.814541
Energy at 298.15K	-170.820915
HF Energy	-170.814541
Nuclear repulsion energy	80.537557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3624	3574	3.45
2	A	3500	3452	1.68
3	A	3481	3433	4.19
4	A	3083	3041	30.13
5	A	2978	2937	70.81
6	A	1668	1645	35.83
7	A	1484	1463	1.01
8	A	1390	1371	19.71
9	A	1349	1330	4.74
10	A	1316	1298	5.12
11	A	1150	1134	77.03
12	A	1091	1076	15.36
13	A	878	866	22.78
14	A	857	845	198.93
15	A	575	567	222.63
16	A	440	434	76.75
17	A	420	414	138.66
18	A	294	290	129.34

Atom	x (Å)	y (Å)	z (Å)
N1	1.224	-0.184	-0.027
C2	-0.008	0.537	0.048
O3	-1.257	-0.255	-0.109
H4	1.423	-0.663	-0.902
H5	1.539	-0.683	0.803
H6	-0.029	1.095	1.003
H7	-0.081	1.251	-0.784
H8	-1.313	-0.893	0.647

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4299	2.4840	1.0176	1.0175	2.0657	2.0826	2.7188
C2	1.4299		1.4870	2.0955	2.1097	1.1063	1.0993	2.0260
O3	2.4840	1.4870		2.8253	2.9725	2.1369	2.0268	0.9912
H4	1.0176	2.0955	2.8253		1.7093	2.9714	2.4369	3.1526
H5	1.0175	2.1097	2.9725	1.7093		2.3788	2.9802	2.8638
H6	2.0657	1.1063	2.1369	2.9714	2.3788		1.7948	2.3931
H7	2.0826	1.0993	2.0268	2.4369	2.9802	1.7948		2.8574
H8	2.7188	2.0260	0.9912	3.1526	2.8638	2.3931	2.8574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.760	N1	C2	H6	108.401
N1	C2	H7	110.180	C2	N1	H4	116.776
C2	N1	H5	118.112	C2	O3	H8	108.004
O3	C2	H6	110.112	O3	C2	H7	102.158
H4	N1	H5	114.264	H6	C2	H7	108.927

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBE/6-31G

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	-0.674
2	C	-0.016
3	O	-0.563
4	H	0.302
5	H	0.292
6	H	0.150
7	H	0.182
8	H	0.326

	x	y	z	Total
	1.319	-1.219	1.428	2.295
CHELPG
AIM
ESP

	x	y	z
x	3.771	-0.073	-0.079
y	-0.073	3.043	-0.259
z	-0.079	-0.259	3.254

<r²>	51.563
(<r²>)^1/2	7.181

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBE/6-31G

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)