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	hartrees
Energy at 0K	-284.365940
Energy at 298.15K	-284.372889
Nuclear repulsion energy	179.729685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3819	3634	54.48
2	A'	3554	3381	1.34
3	A'	3082	2933	16.10
4	A'	1882	1791	272.09
5	A'	1694	1612	22.14
6	A'	1469	1398	13.55
7	A'	1436	1366	40.33
8	A'	1329	1264	12.64
9	A'	1198	1140	141.71
10	A'	1169	1112	128.48
11	A'	951	905	150.32
12	A'	846	805	96.76
13	A'	645	614	8.37
14	A'	470	448	34.78
15	A'	260	248	10.32
16	A"	3635	3459	3.20
17	A"	3126	2974	7.38
18	A"	1398	1330	0.29
19	A"	1189	1132	1.04
20	A"	930	885	4.73
21	A"	681	648	106.14
22	A"	514	489	33.67
23	A"	234	223	51.75
24	A"	63	60	6.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.549	0.000
O2	1.178	0.811	0.000
O3	-0.962	1.489	0.000
C4	-0.581	-0.853	0.000
N5	0.391	-1.917	0.000
H6	-0.507	2.343	0.000
H7	-1.239	-0.940	0.871
H8	-1.239	-0.940	-0.871
H9	0.999	-1.813	0.805
H10	0.999	-1.813	-0.805

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2073	1.3453	1.5168	2.4962	1.8649	2.1236	2.1236	2.6878	2.6878
O2	1.2073		2.2452	2.4212	2.8391	2.2776	3.1096	3.1096	2.7508	2.7508
O3	1.3453	2.2452		2.3726	3.6649	0.9680	2.5953	2.5953	3.9241	3.9241
C4	1.5168	2.4212	2.3726		1.4412	3.1968	1.0953	1.0953	2.0166	2.0166
N5	2.4962	2.8391	3.6649	1.4412		4.3537	2.0907	2.0907	1.0142	1.0142
H6	1.8649	2.2776	0.9680	3.1968	4.3537		3.4749	3.4749	4.4935	4.4935
H7	2.1236	3.1096	2.5953	1.0953	2.0907	3.4749		1.7418	2.4034	2.9294
H8	2.1236	3.1096	2.5953	1.0953	2.0907	3.4749	1.7418		2.9294	2.4034
H9	2.6878	2.7508	3.9241	2.0166	1.0142	4.4935	2.4034	2.9294		1.6105
H10	2.6878	2.7508	3.9241	2.0166	1.0142	4.4935	2.9294	2.4034	1.6105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.293	C1	C4	N5	115.081
C1	C4	H7	107.688	C1	C4	H8	107.688
O2	C1	O3	123.090	O2	C1	C4	125.065
O3	C1	C4	111.844	C4	N5	H9	109.189
C4	N5	H10	109.189	N5	C4	H7	110.277
N5	C4	H8	110.277	H7	C4	H8	105.333
H9	N5	H10	105.122

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: mPW1PW91/6-31G**

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	0.552
2	O	-0.473
3	O	-0.493
4	C	-0.200
5	N	-0.612
6	H	0.338
7	H	0.175
8	H	0.175
9	H	0.269
10	H	0.269

	x	y	z	Total
	-0.705	1.072	0.000	1.283
CHELPG
AIM
ESP

<r²>	116.729
(<r²>)^1/2	10.804

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)