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	hartrees
Energy at 0K	-282.684332
Energy at 298.15K	-282.690971
HF Energy	-282.684332
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3368	3311	1.41
2	A'	3320	3263	0.61
3	A'	3017	2965	14.13
4	A'	1729	1699	157.65
5	A'	1712	1683	7.23
6	A'	1469	1444	22.41
7	A'	1352	1329	18.35
8	A'	1305	1282	1.87
9	A'	1109	1090	22.69
10	A'	1037	1019	203.76
11	A'	803	789	50.30
12	A'	744	731	227.37
13	A'	604	594	4.90
14	A'	440	433	33.89
15	A'	236	232	12.21
16	A"	3412	3354	0.15
17	A"	3058	3006	8.37
18	A"	1378	1355	1.01
19	A"	1195	1174	0.63
20	A"	904	889	2.60
21	A"	658	647	113.89
22	A"	496	488	48.21
23	A"	219	215	53.31
24	A"	23	23	9.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.547	0.000
O2	1.194	0.856	0.000
O3	-1.037	1.480	0.000
C4	-0.577	-0.874	0.000
N5	0.452	-1.930	0.000
H6	-0.622	2.395	0.000
H7	-1.223	-0.980	0.884
H8	-1.223	-0.980	-0.884
H9	1.055	-1.826	0.830
H10	1.055	-1.826	-0.830

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2334	1.3950	1.5340	2.5176	1.9496	2.1466	2.1466	2.7265	2.7265
O2	1.2334		2.3171	2.4756	2.8824	2.3810	3.1611	3.1611	2.8108	2.8108
O3	1.3950	2.3171		2.3991	3.7207	1.0041	2.6205	2.6205	3.9996	3.9996
C4	1.5340	2.4756	2.3991		1.4736	3.2694	1.0998	1.0998	2.0630	2.0630
N5	2.5176	2.8824	3.7207	1.4736		4.4557	2.1185	2.1185	1.0307	1.0307
H6	1.9496	2.3810	1.0041	3.2694	4.4557		3.5396	3.5396	4.6172	4.6172
H7	2.1466	3.1611	2.6205	1.0998	2.1185	3.5396		1.7670	2.4306	2.9732
H8	2.1466	3.1611	2.6205	1.0998	2.1185	3.5396	1.7670		2.9732	2.4306
H9	2.7265	2.8108	3.9996	2.0630	1.0307	4.6172	2.4306	2.9732		1.6591
H10	2.7265	2.8108	3.9996	2.0630	1.0307	4.6172	2.9732	2.4306	1.6591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.222	C1	C4	N5	113.969
C1	C4	H7	107.488	C1	C4	H8	107.488
O2	C1	O3	124.568	O2	C1	C4	125.418
O3	C1	C4	110.014	C4	N5	H9	111.991
C4	N5	H10	111.991	N5	C4	H7	110.609
N5	C4	H8	110.609	H7	C4	H8	106.324
H9	N5	H10	108.578

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B97D3/3-21G

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	0.563
2	O	-0.473
3	O	-0.533
4	C	-0.337
5	N	-0.632
6	H	0.360
7	H	0.250
8	H	0.250
9	H	0.276
10	H	0.276

	x	y	z	Total
	-0.435	1.210	0.000	1.286
CHELPG
AIM
ESP

	x	y	z
x	5.062	-0.491	0.000
y	-0.491	5.386	0.000
z	0.000	0.000	3.279

<r²>	120.446
(<r²>)^1/2	10.975

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B97D3/3-21G

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)