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	hartrees
Energy at 0K	-284.377451
Energy at 298.15K	-284.384242
HF Energy	-284.377451
Nuclear repulsion energy	178.125497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3655	3602	32.17
2	A'	3437	3387	0.38
3	A'	2993	2950	19.50
4	A'	1767	1742	273.37
5	A'	1656	1632	21.45
6	A'	1428	1407	15.16
7	A'	1360	1340	8.64
8	A'	1278	1259	12.47
9	A'	1133	1116	39.40
10	A'	1077	1062	252.68
11	A'	895	882	157.01
12	A'	795	784	65.20
13	A'	621	612	5.79
14	A'	453	447	29.41
15	A'	261	257	9.18
16	A"	3513	3462	1.44
17	A"	3029	2985	9.59
18	A"	1366	1347	0.31
19	A"	1167	1150	0.58
20	A"	903	890	2.05
21	A"	637	628	91.45
22	A"	492	485	37.94
23	A"	238	235	47.41
24	A"	35	34	3.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.555	0.000
O2	1.174	0.852	0.000
O3	-1.004	1.482	0.000
C4	-0.561	-0.868	0.000
N5	0.423	-1.934	0.000
H6	-0.579	2.358	0.000
H7	-1.218	-0.965	0.874
H8	-1.218	-0.965	-0.874
H9	1.031	-1.843	0.811
H10	1.031	-1.843	-0.811

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2107	1.3662	1.5297	2.5255	1.8928	2.1351	2.1351	2.7337	2.7337
O2	1.2107		2.2671	2.4426	2.8859	2.3103	3.1282	3.1282	2.8183	2.8183
O3	1.3662	2.2671		2.3912	3.7024	0.9738	2.6069	2.6069	3.9816	3.9816
C4	1.5297	2.4426	2.3912		1.4509	3.2256	1.0978	1.0978	2.0348	2.0348
N5	2.5255	2.8859	3.7024	1.4509		4.4074	2.0968	2.0968	1.0172	1.0172
H6	1.8928	2.3103	0.9738	3.2256	4.4074		3.4946	3.4946	4.5710	4.5710
H7	2.1351	3.1282	2.6069	1.0978	2.0968	3.4946		1.7474	2.4150	2.9437
H8	2.1351	3.1282	2.6069	1.0978	2.0968	3.4946	1.7474		2.9437	2.4150
H9	2.7337	2.8183	3.9816	2.0348	1.0172	4.5710	2.4150	2.9437		1.6215
H10	2.7337	2.8183	3.9816	2.0348	1.0172	4.5710	2.9437	2.4150	1.6215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.779	C1	C4	N5	115.817
C1	C4	H7	107.564	C1	C4	H8	107.564
O2	C1	O3	123.120	O2	C1	C4	125.684
O3	C1	C4	111.195	C4	N5	H9	109.818
C4	N5	H10	109.818	N5	C4	H7	109.942
N5	C4	H8	109.942	H7	C4	H8	105.477
H9	N5	H10	105.695

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B97D3/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	0.122
2	O	-0.285
3	O	-0.253
4	C	-0.187
5	N	-0.366
6	H	0.284
7	H	0.144
8	H	0.144
9	H	0.199
10	H	0.199

	x	y	z	Total
	-0.738	0.885	0.000	1.152
CHELPG
AIM
ESP

	x	y	z
x	6.370	-0.311	0.000
y	-0.311	6.715	0.000
z	0.000	0.000	4.474

<r²>	119.457
(<r²>)^1/2	10.930

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)