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	hartrees
Energy at 0K	-283.679562
Energy at 298.15K	-283.686593
HF Energy	-282.859355
Nuclear repulsion energy	178.898564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3766	3579	66.61
2	A'	3521	3346	0.77
3	A'	3109	2954	15.57
4	A'	1850	1758	221.07
5	A'	1676	1593	15.49
6	A'	1460	1388	10.90
7	A'	1434	1363	34.31
8	A'	1323	1257	11.55
9	A'	1199	1139	106.14
10	A'	1163	1105	177.84
11	A'	999	949	141.66
12	A'	858	816	51.87
13	A'	642	610	10.71
14	A'	472	449	31.28
15	A'	264	251	8.36
16	A"	3605	3426	2.53
17	A"	3165	3008	8.00
18	A"	1405	1335	0.78
19	A"	1191	1131	1.08
20	A"	933	887	1.78
21	A"	670	637	93.17
22	A"	520	495	33.52
23	A"	257	244	46.97
24	A"	71	67	4.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.548	0.000
O2	1.186	0.809	0.000
O3	-0.973	1.492	0.000
C4	-0.586	-0.855	0.000
N5	0.396	-1.926	0.000
H6	-0.498	2.342	0.000
H7	-1.246	-0.943	0.879
H8	-1.246	-0.943	-0.879
H9	1.014	-1.775	0.801
H10	1.014	-1.775	-0.801

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2149	1.3561	1.5198	2.5050	1.8623	2.1323	2.1323	2.6583	2.6583
O2	1.2149		2.2651	2.4309	2.8469	2.2776	3.1239	3.1239	2.7114	2.7114
O3	1.3561	2.2651		2.3785	3.6819	0.9739	2.6030	2.6030	3.9072	3.9072
C4	1.5198	2.4309	2.3785		1.4530	3.1981	1.1027	1.1027	2.0121	2.0121
N5	2.5050	2.8469	3.6819	1.4530		4.3606	2.1059	2.1059	1.0231	1.0231
H6	1.8623	2.2776	0.9739	3.1981	4.3606		3.4818	3.4818	4.4589	4.4589
H7	2.1323	3.1239	2.6030	1.1027	2.1059	3.4818		1.7575	2.4095	2.9365
H8	2.1323	3.1239	2.6030	1.1027	2.1059	3.4818	1.7575		2.9365	2.4095
H9	2.6583	2.7114	3.9072	2.0121	1.0231	4.4589	2.4095	2.9365		1.6029
H10	2.6583	2.7114	3.9072	2.0121	1.0231	4.4589	2.9365	2.4095	1.6029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	104.931	C1	C4	N5	114.822
C1	C4	H7	107.733	C1	C4	H8	107.733
O2	C1	O3	123.436	O2	C1	C4	125.099
O3	C1	C4	111.464	C4	N5	H9	107.433
C4	N5	H10	107.433	N5	C4	H7	110.222
N5	C4	H8	110.222	H7	C4	H8	105.669
H9	N5	H10	103.146

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: MP2=FULL/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	0.150
2	O	-0.240
3	O	-0.207
4	C	0.004
5	N	-0.221
6	H	0.168
7	H	0.075
8	H	0.075
9	H	0.098
10	H	0.098

	x	y	z	Total
	-0.545	1.135	0.000	1.259
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/cc-pVDZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)