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	hartrees
Energy at 0K	-283.666297
Energy at 298.15K	-283.673302
HF Energy	-282.844613
Nuclear repulsion energy	179.121183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3814	3564	61.87
2	A'	3585	3350	1.23
3	A'	3148	2942	13.42
4	A'	1854	1732	211.52
5	A'	1716	1604	20.68
6	A'	1518	1418	10.26
7	A'	1453	1357	27.43
8	A'	1341	1253	21.19
9	A'	1202	1123	88.12
10	A'	1163	1087	192.33
11	A'	983	919	165.16
12	A'	858	801	70.58
13	A'	642	600	9.17
14	A'	472	441	35.41
15	A'	264	247	9.46
16	A"	3679	3438	3.04
17	A"	3205	2994	7.08
18	A"	1423	1330	0.35
19	A"	1211	1132	0.76
20	A"	943	881	1.79
21	A"	679	635	113.59
22	A"	521	487	31.17
23	A"	250	234	54.16
24	A"	67	62	5.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.546	0.000
O2	1.187	0.816	0.000
O3	-0.978	1.487	0.000
C4	-0.581	-0.853	0.000
N5	0.398	-1.920	0.000
H6	-0.521	2.344	0.000
H7	-1.231	-0.944	0.871
H8	-1.231	-0.944	-0.871
H9	1.005	-1.802	0.803
H10	1.005	-1.802	-0.803

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2173	1.3568	1.5151	2.4979	1.8713	2.1196	2.1196	2.6774	2.6774
O2	1.2173		2.2664	2.4315	2.8471	2.2914	3.1145	3.1145	2.7443	2.7443
O3	1.3568	2.2664		2.3732	3.6742	0.9707	2.5944	2.5944	3.9234	3.9234
C4	1.5151	2.4315	2.3732		1.4484	3.1970	1.0900	1.0900	2.0155	2.0155
N5	2.4979	2.8471	3.6742	1.4484		4.3613	2.0891	2.0891	1.0135	1.0135
H6	1.8713	2.2914	0.9707	3.1970	4.3613		3.4739	3.4739	4.4898	4.4898
H7	2.1196	3.1145	2.5944	1.0900	2.0891	3.4739		1.7415	2.3958	2.9218
H8	2.1196	3.1145	2.5944	1.0900	2.0891	3.4739	1.7415		2.9218	2.3958
H9	2.6774	2.7443	3.9234	2.0155	1.0135	4.4898	2.3958	2.9218		1.6063
H10	2.6774	2.7443	3.9234	2.0155	1.0135	4.4898	2.9218	2.3958	1.6063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.829	C1	C4	N5	114.879
C1	C4	H7	107.792	C1	C4	H8	107.792
O2	C1	O3	123.299	O2	C1	C4	125.365
O3	C1	C4	111.335	C4	N5	H9	108.619
C4	N5	H10	108.619	N5	C4	H7	109.969
N5	C4	H8	109.969	H7	C4	H8	106.040
H9	N5	H10	104.831

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	0.530
2	O	-0.436
3	O	-0.508
4	C	-0.149
5	N	-0.612
6	H	0.341
7	H	0.156
8	H	0.156
9	H	0.261
10	H	0.261

	x	y	z	Total
	-0.545	1.169	0.000	1.290
CHELPG
AIM
ESP

<r²>	117.652
(<r²>)^1/2	10.847

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)