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	hartrees
Energy at 0K	-284.545161
Energy at 298.15K	-284.552070
HF Energy	-284.545161
Nuclear repulsion energy	178.914628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3734	3605	54.06
2	A'	3505	3384	1.87
3	A'	3047	2941	15.93
4	A'	1818	1755	297.32
5	A'	1683	1625	24.89
6	A'	1460	1409	16.09
7	A'	1399	1351	13.93
8	A'	1308	1263	14.72
9	A'	1160	1120	86.44
10	A'	1120	1081	218.94
11	A'	906	874	137.70
12	A'	816	788	97.97
13	A'	639	617	5.85
14	A'	464	448	30.37
15	A'	262	253	10.15
16	A"	3578	3454	4.04
17	A"	3079	2973	7.38
18	A"	1388	1340	0.17
19	A"	1190	1149	0.85
20	A"	923	891	2.98
21	A"	648	626	99.43
22	A"	506	489	39.19
23	A"	241	232	49.27
24	A"	57	55	4.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.555	0.000
O2	1.168	0.848	0.000
O3	-0.992	1.478	0.000
C4	-0.561	-0.862	0.000
N5	0.418	-1.927	0.000
H6	-0.576	2.355	0.000
H7	-1.216	-0.957	0.870
H8	-1.216	-0.957	-0.870
H9	1.021	-1.860	0.812
H10	1.021	-1.860	-0.812

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2040	1.3555	1.5234	2.5166	1.8903	2.1260	2.1260	2.7442	2.7442
O2	1.2040		2.2499	2.4311	2.8744	2.3048	3.1138	3.1138	2.8306	2.8306
O3	1.3555	2.2499		2.3797	3.6857	0.9703	2.5956	2.5956	3.9817	3.9817
C4	1.5234	2.4311	2.3797		1.4463	3.2169	1.0934	1.0934	2.0385	2.0385
N5	2.5166	2.8744	3.6857	1.4463		4.3958	2.0899	2.0899	1.0135	1.0135
H6	1.8903	2.3048	0.9703	3.2169	4.3958		3.4834	3.4834	4.5797	4.5797
H7	2.1260	3.1138	2.5956	1.0934	2.0899	3.4834		1.7400	2.4129	2.9406
H8	2.1260	3.1138	2.5956	1.0934	2.0899	3.4834	1.7400		2.9406	2.4129
H9	2.7442	2.8306	3.9817	2.0385	1.0135	4.5797	2.4129	2.9406		1.6237
H10	2.7442	2.8306	3.9817	2.0385	1.0135	4.5797	2.9406	2.4129	1.6237

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.575	C1	C4	N5	115.841
C1	C4	H7	107.537	C1	C4	H8	107.537
O2	C1	O3	122.946	O2	C1	C4	125.685
O3	C1	C4	111.368	C4	N5	H9	110.708
C4	N5	H10	110.708	N5	C4	H7	109.972
N5	C4	H8	109.972	H7	C4	H8	105.440
H9	N5	H10	106.464

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3LYP/TZVP

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	C	0.178
2	O	-0.309
3	O	-0.279
4	C	-0.217
5	N	-0.382
6	H	0.291
7	H	0.158
8	H	0.158
9	H	0.202
10	H	0.202

	x	y	z	Total
	-0.786	0.855	0.000	1.161
CHELPG
AIM
ESP

	x	y	z
x	6.175	-0.272	0.000
y	-0.272	6.361	0.000
z	0.000	0.000	4.386

<r²>	118.843
(<r²>)^1/2	10.902

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)