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	hartrees
Energy at 0K	-171.105183
Energy at 298.15K	-171.111704
HF Energy	-171.105183
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3908	3732	23.44
2	A	3643	3480	4.35
3	A	3556	3396	1.55
4	A	3135	2994	26.42
5	A	3054	2917	54.76
6	A	1670	1596	29.56
7	A	1521	1453	0.12
8	A	1435	1371	34.94
9	A	1391	1329	2.55
10	A	1375	1313	5.74
11	A	1174	1122	37.59
12	A	1120	1070	32.19
13	A	1033	986	222.22
14	A	925	884	4.44
15	A	803	767	158.55
16	A	486	465	48.84
17	A	383	366	92.49
18	A	265	253	71.31

Atom	x (Å)	y (Å)	z (Å)
N1	1.220	-0.159	-0.019
C2	-0.033	0.533	0.048
O3	-1.196	-0.263	-0.116
H4	1.300	-0.691	-0.874
H5	1.358	-0.784	0.762
H6	-0.072	1.073	0.999
H7	-0.077	1.260	-0.760
H8	-1.286	-0.841	0.641

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4330	2.4209	1.0100	1.0098	2.0551	2.0606	2.6798
C2	1.4330		1.4190	2.0308	2.0436	1.0939	1.0887	1.9513
O3	2.4209	1.4190		2.6436	2.7503	2.0713	1.9971	0.9568
H4	1.0100	2.0308	2.6436		1.6393	2.9155	2.3907	3.0005
H5	1.0098	2.0436	2.7503	1.6393		2.3556	2.9247	2.6464
H6	2.0551	1.0939	2.0713	2.9155	2.3556		1.7689	2.2940
H7	2.0606	1.0887	1.9971	2.3907	2.9247	1.7689		2.8000
H8	2.6798	1.9513	0.9568	3.0005	2.6464	2.2940	2.8000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.174	N1	C2	H6	108.092
N1	C2	H7	108.838	C2	N1	H4	111.280
C2	N1	H5	112.413	C2	O3	H8	108.878
O3	C2	H6	110.366	O3	C2	H7	104.811
H4	N1	H5	108.504	H6	C2	H7	108.289

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: wB97X-D/Def2TZVPP

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	-0.312
2	C	0.110
3	O	-0.339
4	H	0.117
5	H	0.103
6	H	0.082
7	H	0.084
8	H	0.155

	x	y	z	Total
	0.351	-1.091	1.241	1.689
CHELPG
AIM
ESP

	x	y	z
x	4.292	-0.042	-0.067
y	-0.042	3.945	-0.101
z	-0.067	-0.101	3.830

<r²>	49.441
(<r²>)^1/2	7.031

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)