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	hartrees
Energy at 0K	-284.436169
Energy at 298.15K	-284.442947
HF Energy	-284.436169
Nuclear repulsion energy	180.245302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3793	3636	65.43
2	A'	3546	3399	2.96
3	A'	3070	2942	17.77
4	A'	1849	1772	305.76
5	A'	1676	1606	19.64
6	A'	1454	1393	16.53
7	A'	1412	1353	30.63
8	A'	1311	1257	18.41
9	A'	1179	1130	86.24
10	A'	1150	1102	206.00
11	A'	915	877	81.76
12	A'	827	793	114.49
13	A'	640	613	5.28
14	A'	464	444	32.73
15	A'	243	233	11.97
16	A"	3619	3468	7.80
17	A"	3106	2977	4.97
18	A"	1384	1326	0.03
19	A"	1184	1135	1.33
20	A"	915	877	3.79
21	A"	657	630	89.44
22	A"	510	489	29.20
23	A"	176	169	38.05
24	A"	41	39	11.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.545	0.000
O2	1.175	0.819	0.000
O3	-0.973	1.473	0.000
C4	-0.569	-0.844	0.000
N5	0.396	-1.904	0.000
H6	-0.515	2.320	0.000
H7	-1.219	-0.922	0.873
H8	-1.219	-0.922	-0.873
H9	0.993	-1.850	0.810
H10	0.993	-1.850	-0.810

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2061	1.3448	1.5014	2.4810	1.8480	2.0978	2.0978	2.7164	2.7164
O2	1.2061		2.2451	2.4098	2.8323	2.2601	3.0859	3.0859	2.7952	2.7952
O3	1.3448	2.2451		2.3525	3.6442	0.9625	2.5613	2.5613	3.9453	3.9453
C4	1.5014	2.4098	2.3525		1.4333	3.1646	1.0909	1.0909	2.0269	2.0269
N5	2.4810	2.8323	3.6442	1.4333		4.3211	2.0816	2.0816	1.0081	1.0081
H6	1.8480	2.2601	0.9625	3.1646	4.3211		3.4304	3.4304	4.5076	4.5076
H7	2.0978	3.0859	2.5613	1.0909	2.0816	3.4304		1.7454	2.3994	2.9302
H8	2.0978	3.0859	2.5613	1.0909	2.0816	3.4304	1.7454		2.9302	2.3994
H9	2.7164	2.7952	3.9453	2.0269	1.0081	4.5076	2.3994	2.9302		1.6208
H10	2.7164	2.7952	3.9453	2.0269	1.0081	4.5076	2.9302	2.3994	1.6208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.241	C1	C4	N5	115.408
C1	C4	H7	106.976	C1	C4	H8	106.976
O2	C1	O3	123.226	O2	C1	C4	125.405
O3	C1	C4	111.369	C4	N5	H9	111.042
C4	N5	H10	111.042	N5	C4	H7	110.377
N5	C4	H8	110.377	H7	C4	H8	106.260
H9	N5	H10	107.005

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B1B95/aug-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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Number	Element	Mulliken
1	C	0.408
2	O	-0.658
3	O	-0.331
4	C	-0.034
5	N	-0.528
6	H	0.222
7	H	0.350
8	H	0.350
9	H	0.111
10	H	0.111

	x	y	z	Total
	-0.906	0.794	0.000	1.205
CHELPG
AIM
ESP

	x	y	z
x	6.701	-0.234	0.000
y	-0.234	7.284	0.000
z	0.000	0.000	4.931

<r²>	116.916
(<r²>)^1/2	10.813

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)