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	hartrees
Energy at 0K	-284.346477
Energy at 298.15K	-284.353488
Nuclear repulsion energy	179.880981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3744	3599	57.43
2	A'	3502	3367	0.92
3	A'	3063	2944	17.01
4	A'	1867	1794	276.82
5	A'	1664	1600	15.35
6	A'	1429	1374	17.22
7	A'	1415	1360	38.20
8	A'	1306	1255	12.18
9	A'	1190	1144	118.21
10	A'	1165	1120	151.60
11	A'	974	936	134.57
12	A'	849	816	62.63
13	A'	640	615	10.51
14	A'	467	449	32.44
15	A'	261	251	8.13
16	A"	3570	3431	2.21
17	A"	3106	2986	7.77
18	A"	1383	1329	0.75
19	A"	1173	1128	1.29
20	A"	921	886	4.13
21	A"	674	648	89.98
22	A"	513	493	32.35
23	A"	259	249	45.21
24	A"	75	72	3.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.544	0.000
O2	1.181	0.791	0.000
O3	-0.948	1.499	0.000
C4	-0.590	-0.849	0.000
N5	0.380	-1.916	0.000
H6	-0.471	2.346	0.000
H7	-1.255	-0.931	0.874
H8	-1.255	-0.931	-0.874
H9	0.998	-1.784	0.801
H10	0.998	-1.784	-0.801

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2067	1.3456	1.5129	2.4894	1.8622	2.1249	2.1249	2.6573	2.6573
O2	1.2067		2.2441	2.4135	2.8229	2.2689	3.1084	3.1084	2.7032	2.7032
O3	1.3456	2.2441		2.3752	3.6641	0.9722	2.6009	2.6009	3.9001	3.9001
C4	1.5129	2.4135	2.3752		1.4417	3.1971	1.1012	1.1012	2.0095	2.0095
N5	2.4894	2.8229	3.6641	1.4417		4.3460	2.0987	2.0987	1.0205	1.0205
H6	1.8622	2.2689	0.9722	3.1971	4.3460		3.4812	3.4812	4.4564	4.4564
H7	2.1249	3.1084	2.6009	1.1012	2.0987	3.4812		1.7483	2.4097	2.9340
H8	2.1249	3.1084	2.6009	1.1012	2.0987	3.4812	1.7483		2.9340	2.4097
H9	2.6573	2.7032	3.9001	2.0095	1.0205	4.4564	2.4097	2.9340		1.6024
H10	2.6573	2.7032	3.9001	2.0095	1.0205	4.4564	2.9340	2.4097	1.6024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.791	C1	C4	N5	114.798
C1	C4	H7	107.707	C1	C4	H8	107.707
O2	C1	O3	123.015	O2	C1	C4	124.728
O3	C1	C4	112.257	C4	N5	H9	108.180
C4	N5	H10	108.180	N5	C4	H7	110.521
N5	C4	H8	110.521	H7	C4	H8	105.081
H9	N5	H10	103.462

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B1B95/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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Number	Element	Mulliken
1	C	0.123
2	O	-0.251
3	O	-0.177
4	C	0.019
5	N	-0.182
6	H	0.161
7	H	0.065
8	H	0.065
9	H	0.089
10	H	0.089

	x	y	z
x	5.477	-0.299	0.000
y	-0.299	5.667	0.000
z	0.000	0.000	3.816

<r²>	116.241
(<r²>)^1/2	10.781

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)