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	hartrees
Energy at 0K	-283.239077
Energy at 298.15K	-283.245995
HF Energy	-282.690395
Nuclear repulsion energy	175.496256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3596	3416	33.97
2	A'	3550	3373	1.86
3	A'	3092	2937	11.82
4	A'	1763	1675	32.16
5	A'	1713	1627	142.77
6	A'	1538	1461	20.94
7	A'	1425	1354	11.80
8	A'	1330	1264	16.65
9	A'	1167	1108	15.89
10	A'	1087	1032	280.50
11	A'	870	827	68.67
12	A'	765	727	284.00
13	A'	627	596	2.89
14	A'	461	438	42.58
15	A'	258	246	12.41
16	A"	3665	3482	4.01
17	A"	3143	2986	7.60
18	A"	1409	1339	0.00
19	A"	1218	1157	0.04
20	A"	938	891	2.44
21	A"	644	612	162.64
22	A"	520	494	41.61
23	A"	254	241	60.01
24	A"	79	75	3.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.549	0.000
O2	1.209	0.861	0.000
O3	-1.025	1.502	0.000
C4	-0.571	-0.868	0.000
N5	0.431	-1.935	0.000
H6	-0.642	2.410	0.000
H7	-1.221	-0.972	0.879
H8	-1.221	-0.972	-0.879
H9	1.008	-1.953	0.836
H10	1.008	-1.953	-0.836

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2491	1.4001	1.5270	2.5212	1.9685	2.1392	2.1392	2.8236	2.8236
O2	1.2491		2.3248	2.4813	2.9025	2.4137	3.1683	3.1683	2.9421	2.9421
O3	1.4001	2.3248		2.4129	3.7333	0.9851	2.6331	2.6331	4.0952	4.0952
C4	1.5270	2.4813	2.4129		1.4643	3.2780	1.0983	1.0983	2.0905	2.0905
N5	2.5212	2.9025	3.7333	1.4643		4.4755	2.1046	2.1046	1.0162	1.0162
H6	1.9685	2.4137	0.9851	3.2780	4.4755		3.5418	3.5418	4.7384	4.7384
H7	2.1392	3.1683	2.6331	1.0983	2.1046	3.5418		1.7585	2.4354	2.9786
H8	2.1392	3.1683	2.6331	1.0983	2.1046	3.5418	1.7585		2.9786	2.4354
H9	2.8236	2.9421	4.0952	2.0905	1.0162	4.7384	2.4354	2.9786		1.6725
H10	2.8236	2.9421	4.0952	2.0905	1.0162	4.7384	2.9786	2.4354	1.6725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	110.024	C1	C4	N5	114.867
C1	C4	H7	108.026	C1	C4	H8	108.026
O2	C1	O3	122.605	O2	C1	C4	126.426
O3	C1	C4	110.970	C4	N5	H9	113.643
C4	N5	H10	113.643	N5	C4	H7	109.601
N5	C4	H8	109.601	H7	C4	H8	106.368
H9	N5	H10	110.759

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: MP2=FULL/6-31G

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	0.508
2	O	-0.411
3	O	-0.606
4	C	-0.182
5	N	-0.710
6	H	0.400
7	H	0.197
8	H	0.197
9	H	0.304
10	H	0.304

	x	y	z	Total
	-0.319	0.863	0.000	0.920
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: MP2=FULL/6-31G

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)