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	hartrees
Energy at 0K	-284.370918
Energy at 298.15K	-284.377674
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3801	3641	65.80
2	A'	3544	3395	2.53
3	A'	3080	2951	18.15
4	A'	1846	1768	301.17
5	A'	1660	1590	18.32
6	A'	1437	1377	16.95
7	A'	1410	1350	35.64
8	A'	1305	1250	10.04
9	A'	1184	1134	84.86
10	A'	1156	1108	205.61
11	A'	920	881	78.69
12	A'	831	796	109.32
13	A'	637	610	5.41
14	A'	463	444	35.13
15	A'	243	233	12.21
16	A"	3620	3468	6.47
17	A"	3124	2993	5.31
18	A"	1374	1316	0.05
19	A"	1175	1126	1.29
20	A"	913	875	3.24
21	A"	659	632	92.78
22	A"	514	493	26.26
23	A"	170	163	37.13
24	A"	32	30	13.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.547	0.000
O2	1.174	0.821	0.000
O3	-0.969	1.484	0.000
C4	-0.573	-0.852	0.000
N5	0.396	-1.917	0.000
H6	-0.526	2.344	0.000
H7	-1.231	-0.939	0.873
H8	-1.231	-0.939	-0.873
H9	1.005	-1.830	0.807
H10	1.005	-1.830	-0.807

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2057	1.3475	1.5122	2.4959	1.8719	2.1184	2.1184	2.7046	2.7046
O2	1.2057		2.2433	2.4190	2.8462	2.2828	3.1059	3.1059	2.7764	2.7764
O3	1.3475	2.2433		2.3692	3.6645	0.9670	2.5886	2.5886	3.9410	3.9410
C4	1.5122	2.4190	2.3692		1.4399	3.1961	1.0972	1.0972	2.0245	2.0245
N5	2.4959	2.8462	3.6645	1.4399		4.3593	2.0902	2.0902	1.0144	1.0144
H6	1.8719	2.2828	0.9670	3.1961	4.3593		3.4690	3.4690	4.5187	4.5187
H7	2.1184	3.1059	2.5886	1.0972	2.0902	3.4690		1.7468	2.4087	2.9360
H8	2.1184	3.1059	2.5886	1.0972	2.0902	3.4690	1.7468		2.9360	2.4087
H9	2.7046	2.7764	3.9410	2.0245	1.0144	4.5187	2.4087	2.9360		1.6133
H10	2.7046	2.7764	3.9410	2.0245	1.0144	4.5187	2.9360	2.4087	1.6133

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.800	C1	C4	N5	115.424
C1	C4	H7	107.487	C1	C4	H8	107.487
O2	C1	O3	122.858	O2	C1	C4	125.380
O3	C1	C4	111.762	C4	N5	H9	109.940
C4	N5	H10	109.940	N5	C4	H7	110.213
N5	C4	H8	110.213	H7	C4	H8	105.504
H9	N5	H10	105.342

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B1B95/aug-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	0.646
2	O	-0.534
3	O	-0.442
4	C	0.690
5	N	-0.169
6	H	0.158
7	H	-0.141
8	H	-0.141
9	H	-0.033
10	H	-0.033

	x	y	z	Total
	-0.913	0.813	0.000	1.223
CHELPG
AIM
ESP

	x	y	z
x	6.721	-0.219	0.000
y	-0.219	7.288	0.000
z	0.000	0.000	4.916

<r²>	117.422
(<r²>)^1/2	10.836

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)