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	hartrees
Energy at 0K	-284.548742
Energy at 298.15K	-284.555644
Nuclear repulsion energy	179.148714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3737	3612	53.12
2	A'	3498	3381	1.30
3	A'	3039	2937	17.88
4	A'	1820	1759	278.84
5	A'	1677	1621	18.46
6	A'	1459	1410	14.57
7	A'	1399	1352	15.39
8	A'	1312	1268	11.34
9	A'	1161	1123	114.30
10	A'	1124	1086	179.06
11	A'	923	892	139.15
12	A'	821	794	82.24
13	A'	638	616	6.72
14	A'	464	448	28.49
15	A'	260	251	9.60
16	A"	3566	3447	3.26
17	A"	3069	2966	7.57
18	A"	1387	1341	0.06
19	A"	1189	1149	1.20
20	A"	921	890	3.46
21	A"	660	638	89.37
22	A"	511	494	30.35
23	A"	219	211	42.46
24	A"	62	60	5.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.553	0.000
O2	1.168	0.841	0.000
O3	-0.986	1.480	0.000
C4	-0.564	-0.859	0.000
N5	0.413	-1.927	0.000
H6	-0.559	2.350	0.000
H7	-1.220	-0.951	0.869
H8	-1.220	-0.951	-0.869
H9	1.019	-1.844	0.807
H10	1.019	-1.844	-0.807

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2034	1.3532	1.5213	2.5145	1.8813	2.1228	2.1228	2.7273	2.7273
O2	1.2034		2.2474	2.4278	2.8695	2.2937	3.1097	3.1097	2.8080	2.8080
O3	1.3532	2.2474		2.3770	3.6829	0.9689	2.5921	2.5921	3.9650	3.9650
C4	1.5213	2.4278	2.3770		1.4471	3.2090	1.0925	1.0925	2.0318	2.0318
N5	2.5145	2.8695	3.6829	1.4471		4.3857	2.0911	2.0911	1.0131	1.0131
H6	1.8813	2.2937	0.9689	3.2090	4.3857		3.4764	3.4764	4.5531	4.5531
H7	2.1228	3.1097	2.5921	1.0925	2.0911	3.4764		1.7387	2.4109	2.9360
H8	2.1228	3.1097	2.5921	1.0925	2.0911	3.4764	1.7387		2.9360	2.4109
H9	2.7273	2.8080	3.9650	2.0318	1.0131	4.5531	2.4109	2.9360		1.6148
H10	2.7273	2.8080	3.9650	2.0318	1.0131	4.5531	2.9360	2.4109	1.6148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.069	C1	C4	N5	115.769
C1	C4	H7	107.479	C1	C4	H8	107.479
O2	C1	O3	122.956	O2	C1	C4	125.607
O3	C1	C4	111.437	C4	N5	H9	110.098
C4	N5	H10	110.098	N5	C4	H7	110.064
N5	C4	H8	110.064	H7	C4	H8	105.447
H9	N5	H10	105.688

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3LYP/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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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	0.278
2	O	-0.306
3	O	-0.261
4	C	-0.141
5	N	-0.297
6	H	0.215
7	H	0.121
8	H	0.121
9	H	0.135
10	H	0.135

	x	y	z	Total
	-0.825	0.777	0.000	1.134
CHELPG
AIM
ESP

<r²>	118.209
(<r²>)^1/2	10.872

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)