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	hartrees
Energy at 0K	-171.059878
Energy at 298.15K	-171.066200
HF Energy	-171.059878
Nuclear repulsion energy	80.653358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3735	3590	9.10
2	A	3668	3526	2.55
3	A	3602	3462	5.36
4	A	3169	3046	34.68
5	A	3070	2951	75.46
6	A	1688	1623	51.58
7	A	1505	1446	2.31
8	A	1435	1380	21.86
9	A	1364	1311	4.11
10	A	1321	1269	12.86
11	A	1167	1121	88.14
12	A	1095	1053	20.62
13	A	911	875	196.23
14	A	892	858	53.65
15	A	561	540	213.30
16	A	427	411	134.76
17	A	400	384	96.72
18	A	271	261	174.48

Atom	x (Å)	y (Å)	z (Å)
N1	1.218	-0.191	-0.026
C2	-0.013	0.544	0.045
O3	-1.254	-0.255	-0.100
H4	1.444	-0.651	-0.899
H5	1.572	-0.641	0.808
H6	-0.040	1.097	0.994
H7	-0.089	1.248	-0.787
H8	-1.299	-0.940	0.601

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4356	2.4743	1.0120	1.0118	2.0698	2.0871	2.7003
C2	1.4356		1.4834	2.1080	2.1209	1.0988	1.0921	2.0413
O3	2.4743	1.4834		2.8421	2.9940	2.1216	2.0215	0.9819
H4	1.0120	2.1080	2.8421		1.7119	2.9739	2.4430	3.1402
H5	1.0118	2.1209	2.9940	1.7119		2.3777	2.9778	2.8946
H6	2.0698	1.0988	2.1216	2.9739	2.3777		1.7880	2.4272
H7	2.0871	1.0921	2.0215	2.4430	2.9778	1.7880		2.8597
H8	2.7003	2.0413	0.9819	3.1402	2.8946	2.4272	2.8597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	115.900	N1	C2	H6	108.781
N1	C2	H7	110.576	C2	N1	H4	117.873
C2	N1	H5	119.115	C2	O3	H8	110.124
O3	C2	H6	109.595	O3	C2	H7	102.357
H4	N1	H5	115.530	H6	C2	H7	109.391

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYP/LANL2DZ

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	-0.592
2	C	-0.245
3	O	-0.484
4	H	0.297
5	H	0.285
6	H	0.192
7	H	0.221
8	H	0.325

	x	y	z	Total
	1.542	-1.142	1.497	2.434
CHELPG
AIM
ESP

	x	y	z
x	3.528	-0.090	-0.012
y	-0.090	2.980	-0.235
z	-0.012	-0.235	3.117

<r²>	51.549
(<r²>)^1/2	7.180

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)