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	hartrees
Energy at 0K	-284.342678
Energy at 298.15K	-284.349431
HF Energy	-284.342678
Nuclear repulsion energy	176.851657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3508	3480	15.04
2	A'	3342	3315	0.61
3	A'	2975	2950	18.52
4	A'	1765	1750	220.76
5	A'	1670	1657	15.34
6	A'	1447	1435	10.74
7	A'	1358	1347	6.40
8	A'	1285	1275	9.18
9	A'	1134	1125	85.86
10	A'	1086	1077	177.63
11	A'	927	919	177.83
12	A'	792	785	45.64
13	A'	609	604	7.89
14	A'	443	440	30.63
15	A'	251	249	9.15
16	A"	3416	3388	0.13
17	A"	3008	2984	11.98
18	A"	1368	1357	0.45
19	A"	1160	1151	0.68
20	A"	901	894	2.16
21	A"	665	659	94.37
22	A"	495	491	30.18
23	A"	232	230	48.17
24	A"	43	43	5.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.559	0.000
O2	1.200	0.835	0.000
O3	-1.003	1.495	0.000
C4	-0.573	-0.861	0.000
N5	0.406	-1.936	0.000
H6	-0.535	2.359	0.000
H7	-1.235	-0.950	0.883
H8	-1.235	-0.950	-0.883
H9	1.014	-1.866	0.820
H10	1.014	-1.866	-0.820

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2312	1.3717	1.5310	2.5278	1.8780	2.1403	2.1403	2.7535	2.7535
O2	1.2312		2.2988	2.4539	2.8833	2.3087	3.1455	3.1455	2.8296	2.8296
O3	1.3717	2.2988		2.3945	3.7089	0.9823	2.6100	2.6100	4.0046	4.0046
C4	1.5310	2.4539	2.3945		1.4544	3.2199	1.1070	1.1070	2.0504	2.0504
N5	2.5278	2.8833	3.7089	1.4544		4.3970	2.1079	2.1079	1.0235	1.0235
H6	1.8780	2.3087	0.9823	3.2199	4.3970		3.4955	3.4955	4.5743	4.5743
H7	2.1403	3.1455	2.6100	1.1070	2.1079	3.4955		1.7667	2.4291	2.9661
H8	2.1403	3.1455	2.6100	1.1070	2.1079	3.4955	1.7667		2.9661	2.4291
H9	2.7535	2.8296	4.0046	2.0504	1.0235	4.5743	2.4291	2.9661		1.6399
H10	2.7535	2.8296	4.0046	2.0504	1.0235	4.5743	2.9661	2.4291	1.6399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	104.627	C1	C4	N5	115.686
C1	C4	H7	107.363	C1	C4	H8	107.363
O2	C1	O3	123.967	O2	C1	C4	124.991
O3	C1	C4	111.042	C4	N5	H9	110.471
C4	N5	H10	110.471	N5	C4	H7	110.028
N5	C4	H8	110.028	H7	C4	H8	105.882
H9	N5	H10	106.468

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: BLYP/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	0.496
2	O	-0.431
3	O	-0.517
4	C	-0.208
5	N	-0.635
6	H	0.385
7	H	0.167
8	H	0.167
9	H	0.288
10	H	0.288

	x	y	z	Total
	-0.584	1.057	0.000	1.208
CHELPG
AIM
ESP

	x	y	z
x	5.623	-0.401	0.000
y	-0.401	6.030	0.000
z	0.000	0.000	3.836

<r²>	120.206
(<r²>)^1/2	10.964

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)