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	hartrees
Energy at 0K	-170.863285
Energy at 298.15K	-170.869846
HF Energy	-170.863285
Nuclear repulsion energy	81.502984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3614	3554	2.61
2	A	3475	3417	0.32
3	A	3383	3327	1.78
4	A	3053	3002	31.43
5	A	2957	2909	69.08
6	A	1659	1632	20.11
7	A	1475	1451	0.10
8	A	1397	1374	41.91
9	A	1364	1342	1.73
10	A	1351	1329	1.04
11	A	1146	1127	18.66
12	A	1089	1071	20.08
13	A	978	962	241.01
14	A	891	876	3.85
15	A	833	819	158.41
16	A	462	454	53.06
17	A	429	422	109.17
18	A	310	305	61.23

Atom	x (Å)	y (Å)	z (Å)
N1	1.241	-0.156	-0.023
C2	-0.029	0.533	0.048
O3	-1.215	-0.262	-0.116
H4	1.265	-0.732	-0.873
H5	1.347	-0.800	0.770
H6	-0.053	1.093	1.005
H7	-0.077	1.261	-0.778
H8	-1.281	-0.834	0.676

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4474	2.4600	1.0269	1.0269	2.0720	2.0778	2.7033
C2	1.4474		1.4369	2.0311	2.0480	1.1086	1.1021	1.9571
O3	2.4600	1.4369		2.6349	2.7639	2.1078	2.0128	0.9795
H4	1.0269	2.0311	2.6349		1.6463	2.9318	2.4050	2.9814
H5	1.0269	2.0480	2.7639	1.6463		2.3667	2.9452	2.6298
H6	2.0720	1.1086	2.1078	2.9318	2.3667		1.7908	2.3089
H7	2.0778	1.1021	2.0128	2.4050	2.9452	1.7908		2.8201
H8	2.7033	1.9571	0.9795	2.9814	2.6298	2.3089	2.8201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	117.052	N1	C2	H6	107.576
N1	C2	H7	108.409	C2	N1	H4	109.168
C2	N1	H5	110.571	C2	O3	H8	106.639
O3	C2	H6	111.141	O3	C2	H7	104.111
H4	N1	H5	106.559	H6	C2	H7	108.206

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBEultrafine/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	-0.671
2	C	-0.038
3	O	-0.568
4	H	0.303
5	H	0.290
6	H	0.145
7	H	0.172
8	H	0.367

	x	y	z	Total
	0.218	-1.294	1.261	1.819
CHELPG
AIM
ESP

	x	y	z
x	3.637	-0.116	-0.105
y	-0.116	3.357	-0.198
z	-0.105	-0.198	3.441

<r²>	50.162
(<r²>)^1/2	7.083

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)