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	hartrees
Energy at 0K	-171.087495
Energy at 298.15K	-171.094010
HF Energy	-171.087495
Nuclear repulsion energy	82.341581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3863	3698	23.42
2	A	3618	3463	5.66
3	A	3532	3381	1.85
4	A	3103	2971	23.48
5	A	3029	2900	50.56
6	A	1659	1588	30.06
7	A	1501	1437	0.21
8	A	1417	1357	30.70
9	A	1381	1322	1.20
10	A	1362	1304	6.98
11	A	1159	1109	40.68
12	A	1103	1056	28.61
13	A	1006	963	224.93
14	A	905	866	3.23
15	A	787	754	155.17
16	A	479	458	47.48
17	A	392	375	82.19
18	A	269	258	75.62

Atom	x (Å)	y (Å)	z (Å)
N1	1.222	-0.159	-0.020
C2	-0.031	0.531	0.048
O3	-1.200	-0.262	-0.116
H4	1.304	-0.699	-0.871
H5	1.370	-0.777	0.768
H6	-0.070	1.076	0.997
H7	-0.077	1.257	-0.764
H8	-1.298	-0.835	0.648

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4320	2.4269	1.0120	1.0117	2.0559	2.0611	2.6934
C2	1.4320		1.4230	2.0344	2.0470	1.0948	1.0901	1.9577
O3	2.4269	1.4230		2.6516	2.7661	2.0752	1.9975	0.9598
H4	1.0120	2.0344	2.6516		1.6421	2.9200	2.3969	3.0156
H5	1.0117	2.0470	2.7661	1.6421		2.3573	2.9287	2.6708
H6	2.0559	1.0948	2.0752	2.9200	2.3573		1.7703	2.2977
H7	2.0611	1.0901	1.9975	2.3969	2.9287	1.7703		2.8036
H8	2.6934	1.9577	0.9598	3.0156	2.6708	2.2977	2.8036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.437	N1	C2	H6	108.170
N1	C2	H7	108.861	C2	N1	H4	111.537
C2	N1	H5	112.657	C2	O3	H8	108.931
O3	C2	H6	110.337	O3	C2	H7	104.497
H4	N1	H5	108.476	H6	C2	H7	108.241

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3PW91/6-311+G(3df,2p)

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	-0.812
2	C	0.642
3	O	-0.589
4	H	0.188
5	H	0.182
6	H	0.100
7	H	0.096
8	H	0.194

	x	y	z	Total
	0.401	-1.016	1.251	1.661
CHELPG
AIM
ESP

	x	y	z
x	4.945	0.034	-0.057
y	0.034	4.344	-0.041
z	-0.057	-0.041	4.033

<r²>	49.766
(<r²>)^1/2	7.055

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3PW91/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)