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	hartrees
Energy at 0K	-284.136310
Energy at 298.15K	-284.143258
Nuclear repulsion energy	179.612699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3738	3555	49.30
2	A'	3521	3348	0.86
3	A'	3082	2931	15.96
4	A'	1883	1791	272.43
5	A'	1720	1636	22.51
6	A'	1481	1408	14.25
7	A'	1440	1369	34.18
8	A'	1336	1271	10.04
9	A'	1204	1145	154.84
10	A'	1173	1116	120.08
11	A'	970	923	167.55
12	A'	850	809	80.20
13	A'	645	613	9.06
14	A'	470	447	34.97
15	A'	260	247	10.23
16	A"	3603	3427	2.18
17	A"	3125	2972	7.79
18	A"	1407	1338	0.36
19	A"	1196	1138	1.10
20	A"	933	887	4.36
21	A"	686	652	109.33
22	A"	516	491	33.09
23	A"	237	226	54.64
24	A"	62	59	6.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.549	0.000
O2	1.179	0.809	0.000
O3	-0.961	1.491	0.000
C4	-0.582	-0.852	0.000
N5	0.390	-1.918	0.000
H6	-0.501	2.349	0.000
H7	-1.241	-0.944	0.872
H8	-1.241	-0.944	-0.872
H9	1.000	-1.809	0.806
H10	1.000	-1.809	-0.806

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2077	1.3463	1.5169	2.4968	1.8685	2.1281	2.1281	2.6851	2.6851
O2	1.2077		2.2464	2.4212	2.8387	2.2791	3.1132	3.1132	2.7456	2.7456
O3	1.3463	2.2464		2.3739	3.6669	0.9728	2.6018	2.6018	3.9230	3.9230
C4	1.5169	2.4212	2.3739		1.4422	3.2018	1.0970	1.0970	2.0173	2.0173
N5	2.4968	2.8387	3.6669	1.4422		4.3583	2.0902	2.0902	1.0167	1.0167
H6	1.8685	2.2791	0.9728	3.2018	4.3583		3.4855	3.4855	4.4936	4.4936
H7	2.1281	3.1132	2.6018	1.0970	2.0902	3.4855		1.7445	2.4034	2.9306
H8	2.1281	3.1132	2.6018	1.0970	2.0902	3.4855	1.7445		2.9306	2.4034
H9	2.6851	2.7456	3.9230	2.0173	1.0167	4.4936	2.4034	2.9306		1.6120
H10	2.6851	2.7456	3.9230	2.0173	1.0167	4.4936	2.9306	2.4034	1.6120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.244	C1	C4	N5	115.057
C1	C4	H7	107.923	C1	C4	H8	107.923
O2	C1	O3	123.094	O2	C1	C4	125.026
O3	C1	C4	111.880	C4	N5	H9	109.018
C4	N5	H10	109.018	N5	C4	H7	110.064
N5	C4	H8	110.064	H7	C4	H8	105.332
H9	N5	H10	104.890

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: HSEh1PBE/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	0.549
2	O	-0.465
3	O	-0.573
4	C	-0.297
5	N	-0.719
6	H	0.426
7	H	0.212
8	H	0.212
9	H	0.327
10	H	0.327

	x	y	z	Total
	-0.655	1.139	0.000	1.314
CHELPG
AIM
ESP

	x	y	z
x	5.367	-0.314	0.000
y	-0.314	5.454	0.000
z	0.000	0.000	3.712

<r²>	116.898
(<r²>)^1/2	10.812

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)