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	hartrees
Energy at 0K	-284.562459
Energy at 298.15K	-284.569322
HF Energy	-284.562459
Nuclear repulsion energy	179.129860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3749	3609	57.13
2	A'	3508	3377	1.99
3	A'	3042	2928	17.51
4	A'	1816	1748	289.82
5	A'	1677	1614	19.26
6	A'	1458	1404	15.23
7	A'	1398	1346	13.99
8	A'	1308	1260	14.21
9	A'	1160	1117	84.29
10	A'	1122	1080	215.17
11	A'	911	877	125.41
12	A'	818	787	91.82
13	A'	637	613	5.83
14	A'	464	447	28.93
15	A'	259	250	9.91
16	A"	3578	3444	4.82
17	A"	3073	2958	6.87
18	A"	1386	1334	0.03
19	A"	1188	1143	1.02
20	A"	920	886	3.38
21	A"	652	627	87.99
22	A"	509	490	33.97
23	A"	214	206	42.34
24	A"	58	56	5.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.552	0.000
O2	1.178	0.832	0.000
O3	-0.986	1.479	0.000
C4	-0.565	-0.850	0.000
N5	0.403	-1.919	0.000
H6	-0.540	2.336	0.000
H7	-1.218	-0.930	0.874
H8	-1.218	-0.930	-0.874
H9	1.003	-1.873	0.813
H10	1.003	-1.873	-0.813

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2112	1.3531	1.5114	2.5034	1.8634	2.1081	2.1081	2.7474	2.7474
O2	1.2112		2.2585	2.4225	2.8583	2.2827	3.1005	3.1005	2.8307	2.8307
O3	1.3531	2.2585		2.3664	3.6705	0.9658	2.5731	2.5731	3.9814	3.9814
C4	1.5114	2.4225	2.3664		1.4420	3.1855	1.0940	1.0940	2.0409	2.0409
N5	2.5034	2.8583	3.6705	1.4420		4.3575	2.0902	2.0902	1.0111	1.0111
H6	1.8634	2.2827	0.9658	3.1855	4.3575		3.4479	3.4479	4.5557	4.5557
H7	2.1081	3.1005	2.5731	1.0940	2.0902	3.4479		1.7478	2.4135	2.9439
H8	2.1081	3.1005	2.5731	1.0940	2.0902	3.4479	1.7478		2.9439	2.4135
H9	2.7474	2.8307	3.9814	2.0409	1.0111	4.5557	2.4135	2.9439		1.6258
H10	2.7474	2.8307	3.9814	2.0409	1.0111	4.5557	2.9439	2.4135	1.6258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.733	C1	C4	N5	115.892
C1	C4	H7	106.931	C1	C4	H8	106.931
O2	C1	O3	123.375	O2	C1	C4	125.336
O3	C1	C4	111.289	C4	N5	H9	111.392
C4	N5	H10	111.392	N5	C4	H7	110.267
N5	C4	H8	110.267	H7	C4	H8	106.032
H9	N5	H10	107.016

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3LYP/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	0.271
2	O	-0.310
3	O	-0.271
4	C	-0.059
5	N	-0.309
6	H	0.209
7	H	0.104
8	H	0.104
9	H	0.131
10	H	0.131

	x	y	z	Total
	-0.857	0.752	0.000	1.140
CHELPG
AIM
ESP

	x	y	z
x	6.329	-0.290	0.000
y	-0.290	6.739	0.000
z	0.000	0.000	4.593

<r²>	118.465
(<r²>)^1/2	10.884

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)