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	hartrees
Energy at 0K	-171.058151
Energy at 298.15K	-171.064618
HF Energy	-171.058151
Nuclear repulsion energy	81.657034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3728	3671	12.93
2	A	3527	3473	2.23
3	A	3440	3387	1.79
4	A	3050	3004	27.02
5	A	2973	2927	56.21
6	A	1636	1610	23.51
7	A	1470	1447	0.10
8	A	1386	1365	29.74
9	A	1357	1336	1.96
10	A	1333	1313	3.32
11	A	1132	1115	26.93
12	A	1065	1048	30.05
13	A	921	907	243.12
14	A	889	876	4.34
15	A	777	765	145.51
16	A	466	459	42.34
17	A	390	384	76.68
18	A	268	264	66.22

Atom	x (Å)	y (Å)	z (Å)
N1	1.235	-0.162	-0.020
C2	-0.024	0.536	0.048
O3	-1.216	-0.262	-0.117
H4	1.305	-0.708	-0.873
H5	1.368	-0.787	0.769
H6	-0.063	1.079	1.001
H7	-0.072	1.258	-0.771
H8	-1.310	-0.826	0.662

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4410	2.4554	1.0155	1.0152	2.0658	2.0711	2.7174
C2	1.4410		1.4448	2.0399	2.0512	1.0978	1.0929	1.9714
O3	2.4554	1.4448		2.6692	2.7818	2.0933	2.0118	0.9661
H4	1.0155	2.0399	2.6692		1.6448	2.9288	2.4024	3.0344
H5	1.0152	2.0512	2.7818	1.6448		2.3632	2.9374	2.6805
H6	2.0658	1.0978	2.0933	2.9288	2.3632		1.7817	2.3021
H7	2.0711	1.0929	2.0118	2.4024	2.9374	1.7817		2.8156
H8	2.7174	1.9714	0.9661	3.0344	2.6805	2.3021	2.8156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.610	N1	C2	H6	108.158
N1	C2	H7	108.868	C2	N1	H4	111.104
C2	N1	H5	112.091	C2	O3	H8	108.070
O3	C2	H6	110.085	O3	C2	H7	104.029
H4	N1	H5	108.186	H6	C2	H7	108.838

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B97D3/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	-0.325
2	C	0.184
3	O	-0.457
4	H	0.048
5	H	0.043
6	H	0.173
7	H	0.211
8	H	0.123

	x	y	z	Total
	0.435	-0.948	1.204	1.593
CHELPG
AIM
ESP

	x	y	z
x	5.512	0.072	-0.083
y	0.072	4.781	-0.036
z	-0.083	-0.036	4.411

<r²>	50.560
(<r²>)^1/2	7.111

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)