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	hartrees
Energy at 0K	-284.238914
Energy at 298.15K	-284.245634
HF Energy	-284.238914
Nuclear repulsion energy	178.170492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3626	3582	36.17
2	A'	3418	3377	0.82
3	A'	2972	2936	17.59
4	A'	1761	1739	256.57
5	A'	1623	1604	17.24
6	A'	1400	1383	16.08
7	A'	1343	1327	16.18
8	A'	1263	1248	10.56
9	A'	1135	1122	22.29
10	A'	1084	1071	246.58
11	A'	891	880	122.11
12	A'	798	788	81.39
13	A'	614	607	4.94
14	A'	449	444	29.72
15	A'	249	246	9.61
16	A"	3489	3447	2.89
17	A"	3006	2969	5.52
18	A"	1343	1327	0.15
19	A"	1145	1131	0.68
20	A"	886	875	2.72
21	A"	643	635	80.60
22	A"	492	486	30.43
23	A"	200	198	40.15
24	A"	47	46	6.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.554	0.000
O2	1.189	0.836	0.000
O3	-0.996	1.482	0.000
C4	-0.566	-0.854	0.000
N5	0.404	-1.924	0.000
H6	-0.539	2.343	0.000
H7	-1.225	-0.937	0.881
H8	-1.225	-0.937	-0.881
H9	1.008	-1.871	0.818
H10	1.008	-1.871	-0.818

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2219	1.3616	1.5169	2.5105	1.8689	2.1207	2.1207	2.7499	2.7499
O2	1.2219		2.2782	2.4359	2.8696	2.2931	3.1217	3.1217	2.8331	2.8331
O3	1.3616	2.2782		2.3753	3.6828	0.9742	2.5843	2.5843	3.9908	3.9908
C4	1.5169	2.4359	2.3753		1.4444	3.1969	1.1032	1.1032	2.0446	2.0446
N5	2.5105	2.8696	3.6828	1.4444		4.3702	2.0988	2.0988	1.0184	1.0184
H6	1.8689	2.2931	0.9742	3.1969	4.3702		3.4643	3.4643	4.5627	4.5627
H7	2.1207	3.1217	2.5843	1.1032	2.0988	3.4643		1.7610	2.4217	2.9573
H8	2.1207	3.1217	2.5843	1.1032	2.0988	3.4643	1.7610		2.9573	2.4217
H9	2.7499	2.8331	3.9908	2.0446	1.0184	4.5627	2.4217	2.9573		1.6359
H10	2.7499	2.8331	3.9908	2.0446	1.0184	4.5627	2.9573	2.4217	1.6359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.074	C1	C4	N5	115.924
C1	C4	H7	107.015	C1	C4	H8	107.015
O2	C1	O3	123.639	O2	C1	C4	125.260
O3	C1	C4	111.100	C4	N5	H9	111.058
C4	N5	H10	111.058	N5	C4	H7	110.224
N5	C4	H8	110.224	H7	C4	H8	105.909
H9	N5	H10	106.873

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: PBEPBE/Def2TZVPP

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	0.196
2	O	-0.279
3	O	-0.232
4	C	-0.072
5	N	-0.311
6	H	0.210
7	H	0.100
8	H	0.100
9	H	0.145
10	H	0.145

	x	y	z	Total
	-0.803	0.785	0.000	1.123
CHELPG
AIM
ESP

	x	y	z
x	6.613	-0.331	0.000
y	-0.331	7.221	0.000
z	0.000	0.000	4.743

<r²>	119.264
(<r²>)^1/2	10.921

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)