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	hartrees
Energy at 0K	-283.233103
Energy at 298.15K	-283.240021
HF Energy	-282.690335
Nuclear repulsion energy	175.473475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3595	3440	33.94
2	A'	3549	3396	1.84
3	A'	3091	2958	11.85
4	A'	1763	1687	32.10
5	A'	1713	1639	142.74
6	A'	1538	1471	20.90
7	A'	1425	1363	11.78
8	A'	1330	1272	16.51
9	A'	1167	1116	16.10
10	A'	1086	1040	280.31
11	A'	870	833	69.69
12	A'	765	732	282.75
13	A'	627	600	2.91
14	A'	461	441	42.52
15	A'	258	247	12.38
16	A"	3665	3506	3.95
17	A"	3143	3007	7.64
18	A"	1409	1348	0.00
19	A"	1218	1165	0.04
20	A"	938	897	2.43
21	A"	644	616	162.65
22	A"	520	497	41.60
23	A"	254	243	60.05
24	A"	79	75	3.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.549	0.000
O2	1.210	0.861	0.000
O3	-1.025	1.502	0.000
C4	-0.571	-0.868	0.000
N5	0.431	-1.936	0.000
H6	-0.642	2.410	0.000
H7	-1.221	-0.972	0.879
H8	-1.221	-0.972	-0.879
H9	1.009	-1.953	0.836
H10	1.009	-1.953	-0.836

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2492	1.4002	1.5273	2.5217	1.9686	2.1395	2.1395	2.8238	2.8238
O2	1.2492		2.3251	2.4817	2.9031	2.4139	3.1687	3.1687	2.9422	2.9422
O3	1.4002	2.3251		2.4133	3.7339	0.9851	2.6335	2.6335	4.0955	4.0955
C4	1.5273	2.4817	2.4133		1.4645	3.2784	1.0984	1.0984	2.0907	2.0907
N5	2.5217	2.9031	3.7339	1.4645		4.4761	2.1048	2.1048	1.0163	1.0163
H6	1.9686	2.4139	0.9851	3.2784	4.4761		3.5422	3.5422	4.7386	4.7386
H7	2.1395	3.1687	2.6335	1.0984	2.1048	3.5422		1.7587	2.4356	2.9789
H8	2.1395	3.1687	2.6335	1.0984	2.1048	3.5422	1.7587		2.9789	2.4356
H9	2.8238	2.9422	4.0955	2.0907	1.0163	4.7386	2.4356	2.9789		1.6725
H10	2.8238	2.9422	4.0955	2.0907	1.0163	4.7386	2.9789	2.4356	1.6725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	110.019	C1	C4	N5	114.869
C1	C4	H7	108.025	C1	C4	H8	108.025
O2	C1	O3	122.606	O2	C1	C4	126.425
O3	C1	C4	110.969	C4	N5	H9	113.628
C4	N5	H10	113.628	N5	C4	H7	109.596
N5	C4	H8	109.596	H7	C4	H8	106.377
H9	N5	H10	110.743

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: MP2/6-31G

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	0.508
2	O	-0.411
3	O	-0.606
4	C	-0.182
5	N	-0.710
6	H	0.400
7	H	0.197
8	H	0.197
9	H	0.304
10	H	0.304

	x	y	z	Total
	-0.319	0.864	0.000	0.921
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)