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	hartrees
Energy at 0K	-34.479863
Energy at 298.15K	-34.486135
HF Energy	-34.479863
Nuclear repulsion energy	48.342995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3729	3611	5.09
2	A	3672	3556	2.74
3	A	3590	3477	3.09
4	A	3164	3064	39.97
5	A	3062	2965	90.84
6	A	1679	1626	50.96
7	A	1496	1448	0.63
8	A	1419	1374	24.79
9	A	1353	1310	3.46
10	A	1312	1270	11.84
11	A	1152	1116	101.90
12	A	1083	1049	19.44
13	A	905	877	235.17
14	A	880	852	11.11
15	A	551	534	228.17
16	A	426	412	144.10
17	A	399	386	91.82
18	A	245	237	179.31

Atom	x (Å)	y (Å)	z (Å)
N1	1.228	-0.193	-0.025
C2	-0.014	0.545	0.047
O3	-1.261	-0.258	-0.107
H4	1.464	-0.642	-0.906
H5	1.581	-0.652	0.811
H6	-0.045	1.095	1.005
H7	-0.085	1.253	-0.790
H8	-1.337	-0.914	0.626

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4461	2.4906	1.0168	1.0167	2.0831	2.0972	2.7424
C2	1.4461		1.4914	2.1216	2.1353	1.1053	1.0985	2.0531
O3	2.4906	1.4914		2.8652	3.0120	2.1324	2.0335	0.9863
H4	1.0168	2.1216	2.8652		1.7208	2.9911	2.4500	3.2040
H5	1.0167	2.1353	3.0120	1.7208		2.3941	2.9941	2.9353
H6	2.0831	1.1053	2.1324	2.9911	2.3941		1.8026	2.4185
H7	2.0972	1.0985	2.0335	2.4500	2.9941	1.8026		2.8758
H8	2.7424	2.0531	0.9863	3.2040	2.9353	2.4185	2.8758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	115.951	N1	C2	H6	108.726
N1	C2	H7	110.263	C2	N1	H4	117.900
C2	N1	H5	119.196	C2	O3	H8	110.244
O3	C2	H6	109.510	O3	C2	H7	102.412
H4	N1	H5	115.609	H6	C2	H7	109.770

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYP/CEP-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	-0.445
2	C	-0.373
3	O	-0.411
4	H	0.278
5	H	0.265
6	H	0.177
7	H	0.210
8	H	0.301

	x	y	z	Total
	1.538	-1.039	1.570	2.431
CHELPG
AIM
ESP

	x	y	z
x	3.671	-0.042	-0.033
y	-0.042	2.994	-0.245
z	-0.033	-0.245	3.155

<r²>	45.111
(<r²>)^1/2	6.716

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)