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	hartrees
Energy at 0K	-284.303466
Energy at 298.15K	-284.296796
HF Energy	-284.453663
Nuclear repulsion energy	179.098520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3743	3612	44.43
2	A'	3494	3372	0.73
3	A'	3041	2934	17.65
4	A'	1841	1777	248.67
5	A'	1678	1619	17.23
6	A'	1455	1404	11.38
7	A'	1403	1354	19.39
8	A'	1318	1271	10.71
9	A'	1171	1130	118.95
10	A'	1135	1095	152.93
11	A'	940	907	143.28
12	A'	826	798	70.54
13	A'	637	614	7.97
14	A'	463	447	28.83
15	A'	257	248	9.37
16	A"	3562	3437	2.12
17	A"	3076	2968	8.27
18	A"	1388	1340	0.11
19	A"	1181	1140	1.07
20	A"	921	889	3.48
21	A"	668	645	88.08
22	A"	512	494	27.82
23	A"	212	205	41.83
24	A"	52	50	6.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.553	0.000
O2	1.172	0.829	0.000
O3	-0.980	1.485	0.000
C4	-0.573	-0.860	0.000
N5	0.409	-1.926	0.000
H6	-0.540	2.348	0.000
H7	-1.231	-0.952	0.873
H8	-1.231	-0.952	-0.873
H9	1.020	-1.817	0.805
H10	1.020	-1.817	-0.805

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2045	1.3522	1.5247	2.5133	1.8741	2.1314	2.1314	2.7027	2.7027
O2	1.2045		2.2504	2.4289	2.8595	2.2887	3.1163	3.1163	2.7699	2.7699
O3	1.3522	2.2504		2.3792	3.6831	0.9695	2.6003	2.6003	3.9428	3.9428
C4	1.5247	2.4289	2.3792		1.4501	3.2078	1.0967	1.0967	2.0251	2.0251
N5	2.5133	2.8595	3.6831	1.4501		4.3784	2.0977	2.0977	1.0164	1.0164
H6	1.8741	2.2887	0.9695	3.2078	4.3784		3.4828	3.4828	4.5193	4.5193
H7	2.1314	3.1163	2.6003	1.0967	2.0977	3.4828		1.7452	2.4119	2.9372
H8	2.1314	3.1163	2.6003	1.0967	2.0977	3.4828	1.7452		2.9372	2.4119
H9	2.7027	2.7699	3.9428	2.0251	1.0164	4.5193	2.4119	2.9372		1.6100
H10	2.7027	2.7699	3.9428	2.0251	1.0164	4.5193	2.9372	2.4119	1.6100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.262	C1	C4	N5	115.367
C1	C4	H7	107.699	C1	C4	H8	107.699
O2	C1	O3	123.781	O2	C1	C4	125.015
O3	C1	C4	111.204	C4	N5	H9	109.860
C4	N5	H10	109.860	N5	C4	H7	110.062
N5	C4	H8	110.062	H7	C4	H8	105.452
H9	N5	H10	105.759

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: G4

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	0.390
2	O	-0.340
3	O	-0.367
4	C	-0.260
5	N	-0.485
6	H	0.302
7	H	0.143
8	H	0.143
9	H	0.237
10	H	0.237

	x	y	z	Total
	-0.741	0.907	0.000	1.171
CHELPG
AIM
ESP

<r²>	117.598
(<r²>)^1/2	10.844

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: G4

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)