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	hartrees
Energy at 0K	-170.074092
Energy at 298.15K	-170.080604
HF Energy	-170.074092
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3648	3458	3.54
2	A	3584	3397	0.99
3	A	3541	3356	0.91
4	A	3169	3003	30.79
5	A	3068	2908	69.79
6	A	1737	1647	32.55
7	A	1563	1481	1.03
8	A	1450	1375	20.86
9	A	1420	1346	0.59
10	A	1386	1314	9.51
11	A	1186	1124	30.83
12	A	1123	1064	46.05
13	A	963	912	184.26
14	A	915	867	6.38
15	A	628	596	239.10
16	A	447	424	65.01
17	A	433	411	173.24
18	A	322	305	109.07

Atom	x (Å)	y (Å)	z (Å)
N1	1.226	-0.174	-0.025
C2	-0.022	0.533	0.052
O3	-1.242	-0.255	-0.112
H4	1.394	-0.653	-0.904
H5	1.482	-0.727	0.786
H6	-0.036	1.081	1.003
H7	-0.076	1.253	-0.764
H8	-1.280	-0.900	0.635

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4371	2.4706	1.0147	1.0147	2.0554	2.0682	2.6919
C2	1.4371		1.4610	2.0806	2.0953	1.0971	1.0896	1.9941
O3	2.4706	1.4610		2.7809	2.9062	2.1168	2.0148	0.9871
H4	1.0147	2.0806	2.7809		1.6936	2.9475	2.4114	3.0953
H5	1.0147	2.0953	2.9062	1.6936		2.3708	2.9581	2.7720
H6	2.0554	1.0971	2.1168	2.9475	2.3708		1.7755	2.3685
H7	2.0682	1.0896	2.0148	2.4114	2.9581	1.7755		2.8362
H8	2.6919	1.9941	0.9871	3.0953	2.7720	2.3685	2.8362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.962	N1	C2	H6	107.645
N1	C2	H7	109.097	C2	N1	H4	115.026
C2	N1	H5	116.367	C2	O3	H8	107.502
O3	C2	H6	110.879	O3	C2	H7	103.394
H4	N1	H5	113.130	H6	C2	H7	108.573

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: wB97X-D/3-21G*

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	-0.739
2	C	-0.041
3	O	-0.580
4	H	0.300
5	H	0.288
6	H	0.200
7	H	0.239
8	H	0.332

	x	y	z	Total
	0.918	-1.324	1.372	2.116
CHELPG
AIM
ESP

	x	y	z
x	2.980	-0.105	-0.064
y	-0.105	2.655	-0.258
z	-0.064	-0.258	2.914

<r²>	50.619
(<r²>)^1/2	7.115

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)