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	hartrees
Energy at 0K	-284.503362
Energy at 298.15K	-284.510297
Nuclear repulsion energy	178.972174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3718	3593	27.25
2	A'	3497	3379	0.08
3	A'	3049	2946	19.93
4	A'	1831	1770	291.29
5	A'	1731	1673	23.54
6	A'	1471	1421	16.00
7	A'	1409	1361	13.58
8	A'	1326	1281	2.88
9	A'	1174	1134	170.29
10	A'	1136	1098	138.09
11	A'	944	913	180.97
12	A'	828	800	73.16
13	A'	641	619	8.76
14	A'	464	448	32.34
15	A'	257	248	9.95
16	A"	3564	3444	0.22
17	A"	3080	2976	12.55
18	A"	1404	1357	0.44
19	A"	1199	1159	1.14
20	A"	928	897	3.81
21	A"	687	664	117.85
22	A"	515	498	32.55
23	A"	237	229	52.46
24	A"	61	59	5.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.554	0.000
O2	1.171	0.837	0.000
O3	-0.983	1.484	0.000
C4	-0.569	-0.860	0.000
N5	0.412	-1.928	0.000
H6	-0.556	2.355	0.000
H7	-1.226	-0.957	0.870
H8	-1.226	-0.957	-0.870
H9	1.018	-1.838	0.809
H10	1.018	-1.838	-0.809

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2044	1.3530	1.5244	2.5163	1.8848	2.1318	2.1318	2.7227	2.7227
O2	1.2044		2.2482	2.4305	2.8681	2.2986	3.1180	3.1180	2.7992	2.7992
O3	1.3530	2.2482		2.3805	3.6863	0.9699	2.6033	2.6033	3.9617	3.9617
C4	1.5244	2.4305	2.3805		1.4498	3.2153	1.0947	1.0947	2.0321	2.0321
N5	2.5163	2.8681	3.6863	1.4498		4.3913	2.0931	2.0931	1.0151	1.0151
H6	1.8848	2.2986	0.9699	3.2153	4.3913		3.4897	3.4897	4.5513	4.5513
H7	2.1318	3.1180	2.6033	1.0947	2.0931	3.4897		1.7402	2.4117	2.9378
H8	2.1318	3.1180	2.6033	1.0947	2.0931	3.4897	1.7402		2.9378	2.4117
H9	2.7227	2.7992	3.9617	2.0321	1.0151	4.5513	2.4117	2.9378		1.6173
H10	2.7227	2.7992	3.9617	2.0321	1.0151	4.5513	2.9378	2.4117	1.6173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.318	C1	C4	N5	115.547
C1	C4	H7	107.842	C1	C4	H8	107.842
O2	C1	O3	122.965	O2	C1	C4	125.522
O3	C1	C4	111.513	C4	N5	H9	109.797
C4	N5	H10	109.797	N5	C4	H7	109.905
N5	C4	H8	109.905	H7	C4	H8	105.278
H9	N5	H10	105.617

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3LYP/6-311G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.374
2	O	-0.331
3	O	-0.497
4	C	-0.356
5	N	-0.703
6	H	0.394
7	H	0.244
8	H	0.244
9	H	0.315
10	H	0.315

	x	y	z	Total
	-0.618	1.055	0.000	1.223
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)