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	hartrees
Energy at 0K	-170.918690
Energy at 298.15K	-170.925225
HF Energy	-170.918690
Nuclear repulsion energy	82.218041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3863	3715	23.54
2	A	3629	3490	4.77
3	A	3536	3401	2.15
4	A	3136	3015	23.74
5	A	3056	2939	51.66
6	A	1650	1587	28.63
7	A	1479	1422	0.43
8	A	1409	1355	37.29
9	A	1375	1323	2.06
10	A	1355	1303	3.46
11	A	1168	1123	53.94
12	A	1118	1075	21.79
13	A	1025	986	211.87
14	A	906	872	2.86
15	A	799	768	145.12
16	A	478	459	46.02
17	A	395	380	84.76
18	A	272	262	71.44

Atom	x (Å)	y (Å)	z (Å)
N1	1.224	-0.158	-0.020
C2	-0.030	0.532	0.048
O3	-1.200	-0.263	-0.116
H4	1.294	-0.706	-0.872
H5	1.362	-0.784	0.768
H6	-0.068	1.082	1.002
H7	-0.078	1.261	-0.771
H8	-1.291	-0.839	0.650

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4332	2.4282	1.0157	1.0154	2.0618	2.0665	2.6895
C2	1.4332		1.4242	2.0335	2.0465	1.1016	1.0970	1.9574
O3	2.4282	1.4242		2.6443	2.7600	2.0830	2.0026	0.9624
H4	1.0157	2.0335	2.6443		1.6437	2.9267	2.3999	3.0027
H5	1.0154	2.0465	2.7600	1.6437		2.3619	2.9358	2.6557
H6	2.0618	1.1016	2.0830	2.9267	2.3619		1.7823	2.3038
H7	2.0665	1.0970	2.0026	2.3999	2.9358	1.7823		2.8104
H8	2.6895	1.9574	0.9624	3.0027	2.6557	2.3038	2.8104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.382	N1	C2	H6	108.148
N1	C2	H7	108.794	C2	N1	H4	111.135
C2	N1	H5	112.270	C2	O3	H8	108.651
O3	C2	H6	110.472	O3	C2	H7	104.433
H4	N1	H5	108.053	H6	C2	H7	108.321

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBE1PBE/aug-cc-pVDZ

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	-0.176
2	C	1.040
3	O	-0.458
4	H	-0.028
5	H	-0.043
6	H	-0.193
7	H	-0.236
8	H	0.095

	x	y	z	Total
	0.374	-1.019	1.231	1.641
CHELPG
AIM
ESP

	x	y	z
x	5.042	0.056	-0.060
y	0.056	4.498	-0.047
z	-0.060	-0.047	4.182

<r²>	49.895
(<r²>)^1/2	7.064

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)