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	hartrees
Energy at 0K	-171.013863
Energy at 298.15K	-171.020444
HF Energy	-171.013863
Nuclear repulsion energy	82.640186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3878	3714	15.93
2	A	3635	3481	1.99
3	A	3546	3396	0.49
4	A	3123	2991	30.21
5	A	3040	2912	61.24
6	A	1671	1600	22.17
7	A	1506	1442	0.07
8	A	1430	1370	41.68
9	A	1392	1334	1.03
10	A	1381	1323	4.00
11	A	1176	1126	27.43
12	A	1126	1078	27.77
13	A	1048	1004	206.15
14	A	911	873	3.00
15	A	837	801	150.01
16	A	479	459	47.09
17	A	405	388	98.19
18	A	293	280	57.61

Atom	x (Å)	y (Å)	z (Å)
N1	1.222	-0.155	-0.022
C2	-0.035	0.531	0.047
O3	-1.192	-0.263	-0.113
H4	1.260	-0.718	-0.862
H5	1.338	-0.782	0.764
H6	-0.065	1.085	0.993
H7	-0.081	1.256	-0.768
H8	-1.259	-0.841	0.648

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4335	2.4178	1.0119	1.0117	2.0553	2.0605	2.6593
C2	1.4335		1.4126	2.0158	2.0305	1.0964	1.0914	1.9346
O3	2.4178	1.4126		2.6039	2.7275	2.0757	1.9924	0.9582
H4	1.0119	2.0158	2.6039		1.6292	2.9064	2.3883	2.9395
H5	1.0117	2.0305	2.7275	1.6292		2.3465	2.9177	2.6000
H6	2.0553	1.0964	2.0757	2.9064	2.3465		1.7691	2.2915
H7	2.0605	1.0914	1.9924	2.3883	2.9177	1.7691		2.7909
H8	2.6593	1.9346	0.9582	2.9395	2.6000	2.2915	2.7909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.314	N1	C2	H6	107.916
N1	C2	H7	108.631	C2	N1	H4	109.834
C2	N1	H5	111.109	C2	O3	H8	107.829
O3	C2	H6	111.017	O3	C2	H7	104.714
H4	N1	H5	107.236	H6	C2	H7	107.924

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B1B95/6-31G(2df,p)

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	-0.535
2	C	-0.025
3	O	-0.441
4	H	0.244
5	H	0.234
6	H	0.107
7	H	0.131
8	H	0.284

	x	y	z	Total
	0.250	-1.165	1.181	1.678
CHELPG
AIM
ESP

	x	y	z
x	3.621	-0.118	-0.086
y	-0.118	3.482	-0.146
z	-0.086	-0.146	3.468

<r²>	48.900
(<r²>)^1/2	6.993

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)