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	hartrees
Energy at 0K	-284.166409
Energy at 298.15K	-284.173326
HF Energy	-284.166409
Nuclear repulsion energy	179.392176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3806	3634	65.51
2	A'	3563	3402	2.69
3	A'	3075	2936	16.77
4	A'	1856	1772	323.74
5	A'	1688	1612	28.18
6	A'	1455	1390	18.98
7	A'	1419	1355	34.04
8	A'	1312	1253	22.66
9	A'	1189	1135	76.99
10	A'	1160	1108	206.60
11	A'	917	875	102.96
12	A'	833	795	127.60
13	A'	642	613	5.08
14	A'	469	448	34.86
15	A'	257	245	11.24
16	A"	3649	3485	9.27
17	A"	3120	2979	5.09
18	A"	1386	1323	0.11
19	A"	1183	1130	0.83
20	A"	920	879	3.38
21	A"	662	632	105.48
22	A"	512	489	36.59
23	A"	234	223	54.49
24	A"	63	60	5.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.551	0.000
O2	1.176	0.832	0.000
O3	-0.974	1.482	0.000
C4	-0.569	-0.855	0.000
N5	0.398	-1.920	0.000
H6	-0.542	2.350	0.000
H7	-1.228	-0.944	0.872
H8	-1.228	-0.944	-0.872
H9	1.002	-1.854	0.812
H10	1.002	-1.854	-0.812

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2089	1.3468	1.5168	2.5034	1.8781	2.1225	2.1225	2.7296	2.7296
O2	1.2089		2.2457	2.4265	2.8595	2.2924	3.1134	3.1134	2.8114	2.8114
O3	1.3468	2.2457		2.3714	3.6683	0.9692	2.5904	2.5904	3.9614	3.9614
C4	1.5168	2.4265	2.3714		1.4390	3.2044	1.0966	1.0966	2.0313	2.0313
N5	2.5034	2.8595	3.6683	1.4390		4.3720	2.0878	2.0878	1.0139	1.0139
H6	1.8781	2.2924	0.9692	3.2044	4.3720		3.4755	3.4755	4.5514	4.5514
H7	2.1225	3.1134	2.5904	1.0966	2.0878	3.4755		1.7431	2.4097	2.9390
H8	2.1225	3.1134	2.5904	1.0966	2.0878	3.4755	1.7431		2.9390	2.4097
H9	2.7296	2.8114	3.9614	2.0313	1.0139	4.5514	2.4097	2.9390		1.6241
H10	2.7296	2.8114	3.9614	2.0313	1.0139	4.5514	2.9390	2.4097	1.6241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.250	C1	C4	N5	115.734
C1	C4	H7	107.524	C1	C4	H8	107.524
O2	C1	O3	122.892	O2	C1	C4	125.431
O3	C1	C4	111.677	C4	N5	H9	110.614
C4	N5	H10	110.614	N5	C4	H7	110.115
N5	C4	H8	110.115	H7	C4	H8	105.271
H9	N5	H10	106.431

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: HSEh1PBE/6-31+G**

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	0.361
2	O	-0.458
3	O	-0.435
4	C	-0.231
5	N	-0.634
6	H	0.371
7	H	0.198
8	H	0.198
9	H	0.314
10	H	0.314

	x	y	z	Total
	-0.838	0.936	0.000	1.257
CHELPG
AIM
ESP

	x	y	z
x	6.403	-0.198	0.000
y	-0.198	6.669	0.000
z	0.000	0.000	4.439

<r²>	118.096
(<r²>)^1/2	10.867

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)