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	hartrees
Energy at 0K	-283.692150
Energy at 298.15K	-283.699212
HF Energy	-282.860460
Nuclear repulsion energy	179.052897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3823	3658	62.89
2	A'	3517	3365	0.31
3	A'	3089	2955	16.84
4	A'	1912	1830	266.83
5	A'	1690	1617	15.34
6	A'	1468	1404	8.92
7	A'	1457	1394	38.46
8	A'	1346	1287	5.20
9	A'	1218	1166	236.00
10	A'	1176	1125	61.04
11	A'	1010	967	134.51
12	A'	867	830	51.22
13	A'	653	625	13.51
14	A'	475	455	29.62
15	A'	266	255	8.15
16	A"	3590	3435	0.96
17	A"	3137	3001	10.69
18	A"	1411	1350	0.61
19	A"	1198	1146	1.43
20	A"	939	899	2.17
21	A"	664	636	95.30
22	A"	522	499	34.76
23	A"	257	246	46.68
24	A"	75	72	3.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.551	0.000
O2	1.178	0.812	0.000
O3	-0.969	1.493	0.000
C4	-0.585	-0.856	0.000
N5	0.401	-1.928	0.000
H6	-0.507	2.346	0.000
H7	-1.246	-0.946	0.881
H8	-1.246	-0.946	-0.881
H9	1.018	-1.781	0.803
H10	1.018	-1.781	-0.803

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2062	1.3518	1.5237	2.5106	1.8655	2.1371	2.1371	2.6683	2.6683
O2	1.2062		2.2524	2.4267	2.8477	2.2784	3.1205	3.1205	2.7193	2.7193
O3	1.3518	2.2524		2.3804	3.6847	0.9703	2.6074	2.6074	3.9135	3.9135
C4	1.5237	2.4267	2.3804		1.4557	3.2032	1.1052	1.1052	2.0176	2.0176
N5	2.5106	2.8477	3.6847	1.4557		4.3689	2.1099	2.1099	1.0239	1.0239
H6	1.8655	2.2784	0.9703	3.2032	4.3689		3.4865	3.4865	4.4727	4.4727
H7	2.1371	3.1205	2.6074	1.1052	2.1099	3.4865		1.7626	2.4147	2.9432
H8	2.1371	3.1205	2.6074	1.1052	2.1099	3.4865	1.7626		2.9432	2.4147
H9	2.6683	2.7193	3.9135	2.0176	1.0239	4.4727	2.4147	2.9432		1.6065
H10	2.6683	2.7193	3.9135	2.0176	1.0239	4.4727	2.9432	2.4147	1.6065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.727	C1	C4	N5	114.825
C1	C4	H7	107.701	C1	C4	H8	107.701
O2	C1	O3	123.310	O2	C1	C4	125.077
O3	C1	C4	111.613	C4	N5	H9	107.646
C4	N5	H10	107.646	N5	C4	H7	110.206
N5	C4	H8	110.206	H7	C4	H8	105.770
H9	N5	H10	103.349

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: CCD/cc-pVDZ

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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All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: CCD/cc-pVDZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)