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	hartrees
Energy at 0K	-282.844176
Energy at 298.15K	-282.850945
Nuclear repulsion energy	177.185901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3456	3335	6.32
2	A'	3408	3289	0.03
3	A'	3072	2964	11.42
4	A'	1786	1723	170.04
5	A'	1738	1677	16.97
6	A'	1502	1450	22.37
7	A'	1391	1343	23.43
8	A'	1336	1289	2.50
9	A'	1130	1091	30.46
10	A'	1088	1050	214.69
11	A'	836	807	30.48
12	A'	749	723	270.33
13	A'	625	603	4.01
14	A'	453	437	36.50
15	A'	236	227	13.64
16	A"	3495	3372	0.10
17	A"	3108	2999	6.30
18	A"	1396	1347	0.72
19	A"	1215	1173	0.76
20	A"	925	893	3.77
21	A"	666	642	120.89
22	A"	511	493	47.63
23	A"	219	211	53.11
24	A"	51	49	11.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.545	0.000
O2	1.188	0.843	0.000
O3	-1.016	1.479	0.000
C4	-0.579	-0.865	0.000
N5	0.441	-1.917	0.000
H6	-0.611	2.392	0.000
H7	-1.226	-0.967	0.878
H8	-1.226	-0.967	-0.878
H9	1.036	-1.850	0.831
H10	1.036	-1.850	-0.831

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2251	1.3800	1.5250	2.5015	1.9446	2.1357	2.1357	2.7391	2.7391
O2	1.2251		2.2944	2.4583	2.8596	2.3736	3.1426	3.1426	2.8227	2.8227
O3	1.3800	2.2944		2.3848	3.6954	0.9986	2.6075	2.6075	3.9983	3.9983
C4	1.5250	2.4583	2.3848		1.4649	3.2571	1.0953	1.0953	2.0663	2.0663
N5	2.5015	2.8596	3.6954	1.4649		4.4350	2.1096	2.1096	1.0244	1.0244
H6	1.9446	2.3736	0.9986	3.2571	4.4350		3.5257	3.5257	4.6255	4.6255
H7	2.1357	3.1426	2.6075	1.0953	2.1096	3.5257		1.7565	2.4286	2.9694
H8	2.1357	3.1426	2.6075	1.0953	2.1096	3.5257	1.7565		2.9694	2.4286
H9	2.7391	2.8227	3.9983	2.0663	1.0244	4.6255	2.4286	2.9694		1.6618
H10	2.7391	2.8227	3.9983	2.0663	1.0244	4.6255	2.9694	2.4286	1.6618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.617	C1	C4	N5	113.558
C1	C4	H7	108.067	C1	C4	H8	108.067
O2	C1	O3	123.351	O2	C1	C4	126.389
O3	C1	C4	110.260	C4	N5	H9	110.969
C4	N5	H10	110.969	N5	C4	H7	110.138
N5	C4	H8	110.138	H7	C4	H8	106.606
H9	N5	H10	108.408

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3LYP/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	0.593
2	O	-0.482
3	O	-0.554
4	C	-0.314
5	N	-0.636
6	H	0.362
7	H	0.242
8	H	0.242
9	H	0.274
10	H	0.274

	x	y	z	Total
	-0.457	1.154	0.000	1.241
CHELPG
AIM
ESP

<r²>	119.323
(<r²>)^1/2	10.924

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)