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	hartrees
Energy at 0K	-171.033996
Energy at 298.15K	-171.040548
HF Energy	-171.033996
Nuclear repulsion energy	82.093801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3853	3699	21.07
2	A	3646	3501	6.28
3	A	3547	3405	1.24
4	A	3137	3012	26.08
5	A	3051	2929	57.49
6	A	1673	1607	39.29
7	A	1503	1443	0.13
8	A	1420	1364	39.05
9	A	1383	1328	1.80
10	A	1358	1304	5.05
11	A	1158	1112	54.74
12	A	1104	1060	29.23
13	A	1009	969	247.16
14	A	905	869	3.39
15	A	788	756	182.94
16	A	480	460	50.04
17	A	412	396	104.24
18	A	291	279	95.73

Atom	x (Å)	y (Å)	z (Å)
N1	1.225	-0.160	-0.019
C2	-0.030	0.531	0.049
O3	-1.205	-0.262	-0.117
H4	1.315	-0.692	-0.878
H5	1.382	-0.778	0.769
H6	-0.067	1.077	1.001
H7	-0.076	1.257	-0.767
H8	-1.310	-0.833	0.654

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4341	2.4343	1.0143	1.0140	2.0590	2.0641	2.7074
C2	1.4341		1.4282	2.0404	2.0560	1.0978	1.0926	1.9662
O3	2.4343	1.4282		2.6673	2.7832	2.0826	2.0016	0.9645
H4	1.0143	2.0404	2.6673		1.6507	2.9272	2.3975	3.0420
H5	1.0140	2.0560	2.7832	1.6507		2.3652	2.9374	2.6950
H6	2.0590	1.0978	2.0826	2.9272	2.3652		1.7768	2.3042
H7	2.0641	1.0926	2.0016	2.3975	2.9374	1.7768		2.8120
H8	2.7074	1.9662	0.9645	3.0420	2.6950	2.3042	2.8120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.527	N1	C2	H6	108.089
N1	C2	H7	108.805	C2	N1	H4	111.748
C2	N1	H5	113.129	C2	O3	H8	108.977
O3	C2	H6	110.380	O3	C2	H7	104.333
H4	N1	H5	108.948	H6	C2	H7	108.420

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3PW91/6-31+G**

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	-0.651
2	C	-0.086
3	O	-0.501
4	H	0.307
5	H	0.293
6	H	0.140
7	H	0.160
8	H	0.338

	x	y	z	Total
	0.435	-1.130	1.401	1.851
CHELPG
AIM
ESP

	x	y	z
x	4.543	0.034	-0.044
y	0.034	3.954	-0.045
z	-0.044	-0.045	3.706

<r²>	50.114
(<r²>)^1/2	7.079

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)