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	hartrees
Energy at 0K	-282.717509
Energy at 298.15K	-282.724332
HF Energy	-282.717509
Nuclear repulsion energy	177.929755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3541	3354	28.26
2	A'	3467	3284	1.84
3	A'	3077	2915	6.10
4	A'	1846	1748	190.64
5	A'	1734	1642	24.76
6	A'	1504	1425	22.54
7	A'	1420	1345	43.27
8	A'	1346	1275	0.71
9	A'	1155	1094	51.89
10	A'	1130	1070	205.87
11	A'	866	820	20.46
12	A'	752	712	306.72
13	A'	645	611	2.58
14	A'	467	442	40.65
15	A'	247	234	13.74
16	A"	3561	3373	3.97
17	A"	3116	2952	1.87
18	A"	1392	1319	0.46
19	A"	1212	1148	0.97
20	A"	933	883	5.73
21	A"	667	632	146.78
22	A"	514	487	43.87
23	A"	225	213	52.73
24	A"	48	45	15.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.541	0.000
O2	1.188	0.820	0.000
O3	-0.996	1.485	0.000
C4	-0.590	-0.859	0.000
N5	0.432	-1.902	0.000
H6	-0.597	2.396	0.000
H7	-1.235	-0.955	0.879
H8	-1.235	-0.955	-0.879
H9	1.023	-1.853	0.834
H10	1.023	-1.853	-0.834

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2205	1.3723	1.5191	2.4814	1.9479	2.1301	2.1301	2.7338	2.7338
O2	1.2205		2.2836	2.4451	2.8251	2.3810	3.1299	3.1299	2.8048	2.8048
O3	1.3723	2.2836		2.3786	3.6761	0.9943	2.6045	2.6045	3.9893	3.9893
C4	1.5191	2.4451	2.3786		1.4606	3.2541	1.0945	1.0945	2.0697	2.0697
N5	2.4814	2.8251	3.6761	1.4606		4.4191	2.1094	2.1094	1.0227	1.0227
H6	1.9479	2.3810	0.9943	3.2541	4.4191		3.5222	3.5222	4.6226	4.6226
H7	2.1301	3.1299	2.6045	1.0945	2.1094	3.5222		1.7571	2.4305	2.9726
H8	2.1301	3.1299	2.6045	1.0945	2.1094	3.5222	1.7571		2.9726	2.4305
H9	2.7338	2.8048	3.9893	2.0697	1.0227	4.6226	2.4305	2.9726		1.6670
H10	2.7338	2.8048	3.9893	2.0697	1.0227	4.6226	2.9726	2.4305	1.6670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.755	C1	C4	N5	112.755
C1	C4	H7	108.073	C1	C4	H8	108.073
O2	C1	O3	123.360	O2	C1	C4	126.037
O3	C1	C4	110.603	C4	N5	H9	111.700
C4	N5	H10	111.700	N5	C4	H7	110.470
N5	C4	H8	110.470	H7	C4	H8	106.775
H9	N5	H10	109.177

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: M06-2X/3-21G*

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	0.613
2	O	-0.494
3	O	-0.595
4	C	-0.323
5	N	-0.672
6	H	0.383
7	H	0.255
8	H	0.255
9	H	0.288
10	H	0.288

	x	y	z	Total
	-0.495	1.160	0.000	1.261
CHELPG
AIM
ESP

	x	y	z
x	4.811	-0.416	0.000
y	-0.416	4.719	0.000
z	0.000	0.000	3.152

<r²>	118.437
(<r²>)^1/2	10.883

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)