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	hartrees
Energy at 0K	-170.875184
Energy at 298.15K	-170.881811
HF Energy	-170.875184
Nuclear repulsion energy	82.367320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3804	3615	11.02
2	A	3618	3438	1.01
3	A	3524	3349	0.47
4	A	3152	2995	32.61
5	A	3060	2907	67.00
6	A	1713	1627	26.89
7	A	1530	1454	0.10
8	A	1448	1376	48.40
9	A	1410	1340	1.43
10	A	1400	1330	2.78
11	A	1186	1127	30.58
12	A	1136	1079	27.61
13	A	1057	1004	235.69
14	A	920	874	3.22
15	A	861	818	170.66
16	A	482	458	52.91
17	A	430	409	119.96
18	A	310	294	72.02

Atom	x (Å)	y (Å)	z (Å)
N1	1.226	-0.156	-0.020
C2	-0.033	0.530	0.048
O3	-1.197	-0.262	-0.116
H4	1.269	-0.712	-0.870
H5	1.342	-0.792	0.763
H6	-0.064	1.083	0.998
H7	-0.077	1.257	-0.767
H8	-1.277	-0.832	0.661

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4353	2.4269	1.0162	1.0162	2.0575	2.0617	2.6800
C2	1.4353		1.4175	2.0204	2.0373	1.0993	1.0932	1.9432
O3	2.4269	1.4175		2.6177	2.7382	2.0821	1.9968	0.9665
H4	1.0162	2.0204	2.6177		1.6363	2.9131	2.3876	2.9729
H5	1.0162	2.0373	2.7382	1.6363		2.3549	2.9248	2.6204
H6	2.0575	1.0993	2.0821	2.9131	2.3549		1.7739	2.2914
H7	2.0617	1.0932	1.9968	2.3876	2.9248	1.7739		2.8003
H8	2.6800	1.9432	0.9665	2.9729	2.6204	2.2914	2.8003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.573	N1	C2	H6	107.799
N1	C2	H7	108.491	C2	N1	H4	109.827
C2	N1	H5	111.257	C2	O3	H8	107.690
O3	C2	H6	111.010	O3	C2	H7	104.628
H4	N1	H5	107.247	H6	C2	H7	108.005

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBE1PBE/6-31G*

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	-0.734
2	C	-0.019
3	O	-0.619
4	H	0.324
5	H	0.311
6	H	0.159
7	H	0.187
8	H	0.391

	x	y	z	Total
	0.209	-1.295	1.312	1.856
CHELPG
AIM
ESP

	x	y	z
x	3.358	-0.121	-0.086
y	-0.121	3.194	-0.183
z	-0.086	-0.183	3.290

<r²>	49.307
(<r²>)^1/2	7.022

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)