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	hartrees
Energy at 0K	-170.821552
Energy at 298.15K	-170.827957
HF Energy	-170.821552
Nuclear repulsion energy	81.484835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3770	3604	10.67
2	A	3682	3520	1.88
3	A	3642	3481	5.15
4	A	3176	3036	31.17
5	A	3074	2939	67.42
6	A	1720	1644	45.72
7	A	1541	1473	1.19
8	A	1445	1381	23.03
9	A	1397	1336	3.07
10	A	1360	1300	11.03
11	A	1196	1144	93.77
12	A	1133	1083	11.60
13	A	948	906	228.12
14	A	906	866	4.28
15	A	582	556	220.24
16	A	435	416	120.30
17	A	422	404	124.64
18	A	277	265	171.83

Atom	x (Å)	y (Å)	z (Å)
N1	1.205	-0.187	-0.026
C2	-0.017	0.533	0.046
O3	-1.238	-0.254	-0.104
H4	1.433	-0.640	-0.895
H5	1.555	-0.641	0.801
H6	-0.040	1.087	0.992
H7	-0.086	1.245	-0.777
H8	-1.296	-0.911	0.615

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4198	2.4452	1.0066	1.0063	2.0515	2.0692	2.6819
C2	1.4198		1.4603	2.0886	2.1022	1.0970	1.0904	2.0116
O3	2.4452	1.4603		2.8123	2.9613	2.1057	2.0068	0.9757
H4	1.0066	2.0886	2.8123		1.7009	2.9519	2.4238	3.1310
H5	1.0063	2.1022	2.9613	1.7009		2.3595	2.9566	2.8701
H6	2.0515	1.0970	2.1057	2.9519	2.3595		1.7765	2.3904
H7	2.0692	1.0904	2.0068	2.4238	2.9566	1.7765		2.8376
H8	2.6819	2.0116	0.9757	3.1310	2.8701	2.3904	2.8376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.202	N1	C2	H6	108.522
N1	C2	H7	110.355	C2	N1	H4	117.793
C2	N1	H5	119.123	C2	O3	H8	109.730
O3	C2	H6	110.051	O3	C2	H7	102.809
H4	N1	H5	115.334	H6	C2	H7	108.614

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	-0.755
2	C	0.024
3	O	-0.621
4	H	0.325
5	H	0.315
6	H	0.164
7	H	0.197
8	H	0.351

	x	y	z	Total
	1.415	-1.154	1.488	2.356
CHELPG
AIM
ESP

	x	y	z
x	3.409	-0.080	-0.044
y	-0.080	2.878	-0.231
z	-0.044	-0.231	3.067

<r²>	50.593
(<r²>)^1/2	7.113

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)