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	hartrees
Energy at 0K	-284.548535
Energy at 298.15K	-284.555404
Nuclear repulsion energy	179.138216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3753	3629	58.51
2	A'	3510	3395	2.57
3	A'	3035	2935	17.78
4	A'	1816	1756	298.86
5	A'	1674	1619	20.34
6	A'	1460	1412	16.13
7	A'	1394	1348	13.17
8	A'	1306	1263	13.76
9	A'	1160	1121	97.96
10	A'	1122	1085	206.46
11	A'	904	874	109.47
12	A'	815	788	94.79
13	A'	637	616	5.43
14	A'	464	449	29.44
15	A'	257	249	10.26
16	A"	3579	3461	7.01
17	A"	3067	2965	6.01
18	A"	1383	1337	0.01
19	A"	1184	1145	1.33
20	A"	918	888	3.50
21	A"	655	633	90.48
22	A"	510	493	30.34
23	A"	214	207	43.79
24	A"	59	57	4.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.555	0.000
O2	1.166	0.847	0.000
O3	-0.989	1.477	0.000
C4	-0.561	-0.861	0.000
N5	0.416	-1.926	0.000
H6	-0.572	2.350	0.000
H7	-1.216	-0.954	0.870
H8	-1.216	-0.954	-0.870
H9	1.020	-1.859	0.810
H10	1.020	-1.859	-0.810

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2022	1.3518	1.5226	2.5159	1.8844	2.1237	2.1237	2.7426	2.7426
O2	1.2022		2.2447	2.4290	2.8735	2.2974	3.1102	3.1102	2.8285	2.8285
O3	1.3518	2.2447		2.3761	3.6815	0.9683	2.5911	2.5911	3.9770	3.9770
C4	1.5226	2.4290	2.3761		1.4457	3.2111	1.0926	1.0926	2.0378	2.0378
N5	2.5159	2.8735	3.6815	1.4457		4.3894	2.0893	2.0893	1.0130	1.0130
H6	1.8844	2.2974	0.9683	3.2111	4.3894		3.4767	3.4767	4.5723	4.5723
H7	2.1237	3.1102	2.5911	1.0926	2.0893	3.4767		1.7391	2.4132	2.9396
H8	2.1237	3.1102	2.5911	1.0926	2.0893	3.4767	1.7391		2.9396	2.4132
H9	2.7426	2.8285	3.9770	2.0378	1.0130	4.5723	2.4132	2.9396		1.6202
H10	2.7426	2.8285	3.9770	2.0378	1.0130	4.5723	2.9396	2.4132	1.6202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.471	C1	C4	N5	115.875
C1	C4	H7	107.454	C1	C4	H8	107.454
O2	C1	O3	122.919	O2	C1	C4	125.707
O3	C1	C4	111.374	C4	N5	H9	110.719
C4	N5	H10	110.719	N5	C4	H7	110.020
N5	C4	H8	110.020	H7	C4	H8	105.473
H9	N5	H10	106.200

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3LYP/6-311+G(3df,2p)

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	0.871
2	O	-0.721
3	O	-0.552
4	C	0.173
5	N	-0.786
6	H	0.267
7	H	0.164
8	H	0.164
9	H	0.210
10	H	0.210

	x	y	z	Total
	-0.894	0.742	0.000	1.162
CHELPG
AIM
ESP

	x	y	z
x	6.735	-0.259	0.000
y	-0.259	7.379	0.000
z	0.000	0.000	4.900

<r²>	118.675
(<r²>)^1/2	10.894

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)