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	hartrees
Energy at 0K	-170.835903
Energy at 298.15K	-170.842303
HF Energy	-170.835903
Nuclear repulsion energy	81.473331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3766	3603	10.06
2	A	3674	3515	1.77
3	A	3638	3480	4.85
4	A	3175	3037	32.04
5	A	3073	2940	68.81
6	A	1720	1645	45.23
7	A	1541	1474	1.12
8	A	1444	1382	23.43
9	A	1397	1336	3.13
10	A	1360	1301	10.85
11	A	1195	1143	93.05
12	A	1132	1082	12.15
13	A	944	903	229.78
14	A	906	866	4.00
15	A	582	557	219.17
16	A	434	415	121.03
17	A	421	403	123.11
18	A	275	263	170.04

Atom	x (Å)	y (Å)	z (Å)
N1	1.205	-0.187	-0.026
C2	-0.016	0.533	0.046
O3	-1.238	-0.254	-0.104
H4	1.432	-0.641	-0.895
H5	1.555	-0.641	0.801
H6	-0.039	1.088	0.992
H7	-0.086	1.245	-0.777
H8	-1.296	-0.912	0.615

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4196	2.4458	1.0066	1.0063	2.0514	2.0692	2.6818
C2	1.4196		1.4611	2.0883	2.1019	1.0968	1.0902	2.0124
O3	2.4458	1.4611		2.8122	2.9614	2.1063	2.0072	0.9759
H4	1.0066	2.0883	2.8122		1.7006	2.9517	2.4240	3.1299
H5	1.0063	2.1019	2.9614	1.7006		2.3592	2.9565	2.8696
H6	2.0514	1.0968	2.1063	2.9517	2.3592		1.7763	2.3915
H7	2.0692	1.0902	2.0072	2.4240	2.9565	1.7763		2.8381
H8	2.6818	2.0124	0.9759	3.1299	2.8696	2.3915	2.8381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.198	N1	C2	H6	108.531
N1	C2	H7	110.377	C2	N1	H4	117.789
C2	N1	H5	119.112	C2	O3	H8	109.722
O3	C2	H6	110.040	O3	C2	H7	102.788
H4	N1	H5	115.317	H6	C2	H7	108.619

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: HSEh1PBE/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	-0.749
2	C	0.026
3	O	-0.618
4	H	0.323
5	H	0.313
6	H	0.161
7	H	0.195
8	H	0.349

	x	y	z	Total
	1.421	-1.156	1.484	2.357
CHELPG
AIM
ESP

	x	y	z
x	3.419	-0.079	-0.045
y	-0.079	2.887	-0.233
z	-0.045	-0.233	3.075

<r²>	50.605
(<r²>)^1/2	7.114

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: HSEh1PBE/6-31G

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)