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	hartrees
Energy at 0K	-170.885676
Energy at 298.15K	-170.892199
HF Energy	-170.885676
Nuclear repulsion energy	81.675842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3694	3656	6.31
2	A	3496	3460	0.45
3	A	3410	3375	0.65
4	A	3021	2990	28.16
5	A	2936	2906	61.83
6	A	1620	1603	16.67
7	A	1448	1433	0.07
8	A	1382	1368	36.16
9	A	1347	1333	1.50
10	A	1336	1322	1.39
11	A	1139	1127	16.65
12	A	1082	1071	17.70
13	A	974	964	211.04
14	A	885	875	3.70
15	A	813	805	144.49
16	A	462	457	45.58
17	A	405	400	92.04
18	A	295	292	48.35

Atom	x (Å)	y (Å)	z (Å)
N1	1.239	-0.156	-0.024
C2	-0.031	0.535	0.047
O3	-1.211	-0.263	-0.114
H4	1.257	-0.740	-0.865
H5	1.345	-0.791	0.772
H6	-0.055	1.097	1.002
H7	-0.081	1.263	-0.780
H8	-1.265	-0.842	0.665

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4472	2.4536	1.0240	1.0238	2.0727	2.0798	2.6863
C2	1.4472		1.4329	2.0289	2.0435	1.1084	1.1030	1.9495
O3	2.4536	1.4329		2.6240	2.7560	2.1044	2.0117	0.9721
H4	1.0240	2.0289	2.6240		1.6404	2.9295	2.4099	2.9524
H5	1.0238	2.0435	2.7560	1.6404		2.3615	2.9426	2.6129
H6	2.0727	1.1084	2.1044	2.9295	2.3615		1.7898	2.3105
H7	2.0798	1.1030	2.0117	2.4099	2.9426	1.7898		2.8143
H8	2.6863	1.9495	0.9721	2.9524	2.6129	2.3105	2.8143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.839	N1	C2	H6	107.659
N1	C2	H7	108.530	C2	N1	H4	109.168
C2	N1	H5	110.407	C2	O3	H8	106.735
O3	C2	H6	111.166	O3	C2	H7	104.232
H4	N1	H5	106.461	H6	C2	H7	108.068

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBEultrafine/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	-0.484
2	C	-0.087
3	O	-0.384
4	H	0.232
5	H	0.222
6	H	0.106
7	H	0.129
8	H	0.265

	x	y	z	Total
	0.245	-1.171	1.138	1.651
CHELPG
AIM
ESP

	x	y	z
x	3.897	-0.116	-0.105
y	-0.116	3.656	-0.157
z	-0.105	-0.157	3.623

<r²>	49.890
(<r²>)^1/2	7.063

All results from a given calculation for NH2CH2OH (aminomethanol)

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

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)