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	hartrees
Energy at 0K	-284.428604
Energy at 298.15K	-284.435387
Nuclear repulsion energy	177.094311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3547	3538	8.89
2	A'	3372	3363	1.17
3	A'	2967	2960	21.04
4	A'	1746	1741	253.91
5	A'	1686	1682	17.83
6	A'	1432	1429	15.11
7	A'	1349	1346	4.97
8	A'	1282	1279	1.86
9	A'	1124	1121	75.78
10	A'	1072	1070	206.32
11	A'	909	907	189.92
12	A'	788	786	51.26
13	A'	613	612	7.73
14	A'	444	443	30.62
15	A'	248	248	9.32
16	A"	3437	3429	0.26
17	A"	2996	2988	13.98
18	A"	1368	1365	0.65
19	A"	1166	1163	0.75
20	A"	899	897	2.40
21	A"	672	670	105.27
22	A"	498	497	31.76
23	A"	233	233	49.26
24	A"	47	47	4.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.559	0.000
O2	1.180	0.855	0.000
O3	-1.006	1.493	0.000
C4	-0.568	-0.872	0.000
N5	0.423	-1.949	0.000
H6	-0.570	2.373	0.000
H7	-1.227	-0.975	0.876
H8	-1.227	-0.975	-0.876
H9	1.037	-1.843	0.813
H10	1.037	-1.843	-0.813

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2167	1.3729	1.5391	2.5439	1.9014	2.1510	2.1510	2.7398	2.7398
O2	1.2167		2.2775	2.4566	2.9045	2.3169	3.1481	3.1481	2.8212	2.8212
O3	1.3729	2.2775		2.4053	3.7275	0.9818	2.6287	2.6287	3.9957	3.9957
C4	1.5391	2.4566	2.4053		1.4638	3.2447	1.1015	1.1015	2.0443	2.0443
N5	2.5439	2.9045	3.7275	1.4638		4.4350	2.1070	2.1070	1.0246	1.0246
H6	1.9014	2.3169	0.9818	3.2447	4.4350		3.5227	3.5227	4.5845	4.5845
H7	2.1510	3.1481	2.6287	1.1015	2.1070	3.5227		1.7523	2.4255	2.9552
H8	2.1510	3.1481	2.6287	1.1015	2.1070	3.5227	1.7523		2.9552	2.4255
H9	2.7398	2.8212	3.9957	2.0443	1.0246	4.5845	2.4255	2.9552		1.6265
H10	2.7398	2.8212	3.9957	2.0443	1.0246	4.5845	2.9552	2.4255	1.6265

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.518	C1	C4	N5	115.779
C1	C4	H7	107.943	C1	C4	H8	107.943
O2	C1	O3	123.050	O2	C1	C4	125.700
O3	C1	C4	111.250	C4	N5	H9	109.210
C4	N5	H10	109.210	N5	C4	H7	109.633
N5	C4	H8	109.633	H7	C4	H8	105.391
H9	N5	H10	105.074

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: BLYP/6-311G*

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	0.326
2	O	-0.297
3	O	-0.460
4	C	-0.345
5	N	-0.662
6	H	0.372
7	H	0.232
8	H	0.232
9	H	0.301
10	H	0.301

	x	y	z	Total
	-0.552	1.028	0.000	1.166
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)