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	hartrees
Energy at 0K	-284.406576
Energy at 298.15K	-284.413408
Nuclear repulsion energy	180.060900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3794	3643	56.22
2	A'	3529	3388	0.91
3	A'	3062	2940	17.57
4	A'	1859	1785	290.62
5	A'	1678	1611	21.61
6	A'	1452	1394	15.07
7	A'	1412	1356	35.21
8	A'	1312	1260	10.03
9	A'	1182	1135	131.90
10	A'	1152	1106	158.01
11	A'	933	896	123.90
12	A'	835	802	101.21
13	A'	643	617	8.21
14	A'	464	446	34.40
15	A'	247	237	11.54
16	A"	3600	3456	2.53
17	A"	3100	2976	8.61
18	A"	1384	1329	0.49
19	A"	1180	1133	1.20
20	A"	920	883	4.14
21	A"	670	644	98.68
22	A"	509	489	33.63
23	A"	197	189	43.36
24	A"	45	43	11.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.548	0.000
O2	1.172	0.809	0.000
O3	-0.962	1.487	0.000
C4	-0.578	-0.851	0.000
N5	0.396	-1.913	0.000
H6	-0.512	2.342	0.000
H7	-1.235	-0.938	0.869
H8	-1.235	-0.938	-0.869
H9	1.003	-1.811	0.805
H10	1.003	-1.811	-0.805

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2011	1.3449	1.5139	2.4928	1.8656	2.1189	2.1189	2.6860	2.6860
O2	1.2011		2.2398	2.4130	2.8313	2.2771	3.0994	3.0994	2.7459	2.7459
O3	1.3449	2.2398		2.3697	3.6617	0.9661	2.5908	2.5908	3.9223	3.9223
C4	1.5139	2.4130	2.3697		1.4412	3.1937	1.0932	1.0932	2.0169	2.0169
N5	2.4928	2.8313	3.6617	1.4412		4.3509	2.0899	2.0899	1.0132	1.0132
H6	1.8656	2.2771	0.9661	3.1937	4.3509		3.4694	3.4694	4.4926	4.4926
H7	2.1189	3.0994	2.5908	1.0932	2.0899	3.4694		1.7390	2.4030	2.9280
H8	2.1189	3.0994	2.5908	1.0932	2.0899	3.4694	1.7390		2.9280	2.4030
H9	2.6860	2.7459	3.9223	2.0169	1.0132	4.4926	2.4030	2.9280		1.6094
H10	2.6860	2.7459	3.9223	2.0169	1.0132	4.4926	2.9280	2.4030	1.6094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.508	C1	C4	N5	115.015
C1	C4	H7	107.638	C1	C4	H8	107.638
O2	C1	O3	123.122	O2	C1	C4	125.036
O3	C1	C4	111.842	C4	N5	H9	109.277
C4	N5	H10	109.277	N5	C4	H7	110.342
N5	C4	H8	110.342	H7	C4	H8	105.375
H9	N5	H10	105.159

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B1B95/6-311G**

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	0.302
2	O	-0.338
3	O	-0.324
4	C	-0.189
5	N	-0.443
6	H	0.259
7	H	0.165
8	H	0.165
9	H	0.202
10	H	0.202

	x	y	z
x	5.656	-0.304	0.000
y	-0.304	5.865	0.000
z	0.000	0.000	3.987

<r²>	116.613
(<r²>)^1/2	10.799

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)