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	hartrees
Energy at 0K	-170.152246
Energy at 298.15K	-170.158912
HF Energy	-170.152246
Nuclear repulsion energy	83.174934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4155	3783	46.67
2	A	3814	3472	6.35
3	A	3730	3396	3.05
4	A	3252	2961	38.25
5	A	3181	2896	66.00
6	A	1800	1639	34.53
7	A	1641	1494	0.09
8	A	1549	1410	47.46
9	A	1502	1367	0.02
10	A	1483	1350	14.03
11	A	1242	1131	56.17
12	A	1178	1072	61.48
13	A	1129	1028	219.43
14	A	980	892	2.78
15	A	884	805	142.03
16	A	519	473	45.24
17	A	392	357	88.62
18	A	282	257	85.66

Atom	x (Å)	y (Å)	z (Å)
N1	1.212	-0.158	-0.016
C2	-0.038	0.533	0.047
O3	-1.181	-0.265	-0.115
H4	1.304	-0.678	-0.863
H5	1.352	-0.774	0.756
H6	-0.085	1.067	0.989
H7	-0.079	1.253	-0.755
H8	-1.294	-0.834	0.625

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4296	2.3973	0.9976	0.9975	2.0476	2.0505	2.6733
C2	1.4296		1.4034	2.0237	2.0353	1.0838	1.0791	1.9443
O3	2.3973	1.4034		2.6278	2.7265	2.0484	1.9827	0.9404
H4	0.9976	2.0237	2.6278		1.6222	2.8988	2.3779	2.9978
H5	0.9975	2.0353	2.7265	1.6222		2.3469	2.9053	2.6498
H6	2.0476	1.0838	2.0484	2.8988	2.3469		1.7540	2.2826
H7	2.0505	1.0791	1.9827	2.3779	2.9053	1.7540		2.7821
H8	2.6733	1.9443	0.9404	2.9978	2.6498	2.2826	2.7821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	115.592	N1	C2	H6	108.325
N1	C2	H7	108.834	C2	N1	H4	111.740
C2	N1	H5	112.769	C2	O3	H8	110.542
O3	C2	H6	110.225	O3	C2	H7	105.255
H4	N1	H5	108.799	H6	C2	H7	108.378

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: HF/aug-cc-pVTZ

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	-0.521
2	C	-0.098
3	O	-0.551
4	H	0.130
5	H	0.119
6	H	0.362
7	H	0.402
8	H	0.158

	x	y	z	Total
	0.301	-1.018	1.292	1.672
CHELPG
AIM
ESP

	x	y	z
x	4.310	0.022	-0.046
y	0.022	3.986	-0.056
z	-0.046	-0.056	3.779

<r²>	48.952
(<r²>)^1/2	6.997

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)