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	hartrees
Energy at 0K	-171.153643
Energy at 298.15K	-171.160177
HF Energy	-171.153643
Nuclear repulsion energy	82.100325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3805	3679	16.76
2	A	3580	3461	1.81
3	A	3498	3381	0.87
4	A	3094	2991	28.82
5	A	3020	2919	58.68
6	A	1666	1611	24.74
7	A	1507	1457	0.04
8	A	1422	1374	32.11
9	A	1386	1340	1.19
10	A	1369	1324	6.55
11	A	1159	1121	28.49
12	A	1093	1057	28.13
13	A	988	955	235.86
14	A	910	880	3.30
15	A	807	780	157.86
16	A	476	460	45.65
17	A	396	383	86.10
18	A	276	266	69.03

Atom	x (Å)	y (Å)	z (Å)
N1	1.228	-0.160	-0.020
C2	-0.029	0.535	0.047
O3	-1.206	-0.263	-0.115
H4	1.294	-0.710	-0.868
H5	1.365	-0.779	0.769
H6	-0.065	1.080	0.994
H7	-0.076	1.255	-0.768
H8	-1.298	-0.833	0.654

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4377	2.4379	1.0125	1.0123	2.0591	2.0643	2.7002
C2	1.4377		1.4306	2.0340	2.0465	1.0936	1.0888	1.9622
O3	2.4379	1.4306		2.6487	2.7670	2.0822	2.0012	0.9623
H4	1.0125	2.0340	2.6487		1.6394	2.9190	2.3981	3.0084
H5	1.0123	2.0465	2.7670	1.6394		2.3563	2.9281	2.6661
H6	2.0591	1.0936	2.0822	2.9190	2.3563		1.7704	2.3020
H7	2.0643	1.0888	2.0012	2.3981	2.9281	1.7704		2.8065
H8	2.7002	1.9622	0.9623	3.0084	2.6661	2.3020	2.8065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.409	N1	C2	H6	108.104
N1	C2	H7	108.804	C2	N1	H4	111.036
C2	N1	H5	112.129	C2	O3	H8	108.587
O3	C2	H6	110.447	O3	C2	H7	104.365
H4	N1	H5	108.125	H6	C2	H7	108.431

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYPultrafine/cc-pVTZ

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	-0.316
2	C	0.069
3	O	-0.345
4	H	0.135
5	H	0.124
6	H	0.064
7	H	0.091
8	H	0.178

	x	y	z	Total
	0.384	-1.044	1.231	1.659
CHELPG
AIM
ESP

	x	y	z
x	4.270	-0.060	-0.099
y	-0.060	3.909	-0.131
z	-0.099	-0.131	3.802

<r²>	49.882
(<r²>)^1/2	7.063

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)