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	hartrees
Energy at 0K	-284.347695
Energy at 298.15K	-284.354570
Nuclear repulsion energy	179.550030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3776	3630	49.86
2	A'	3522	3386	1.33
3	A'	3050	2932	17.36
4	A'	1856	1784	253.56
5	A'	1675	1610	18.72
6	A'	1447	1391	13.06
7	A'	1410	1356	30.06
8	A'	1315	1264	9.99
9	A'	1181	1135	90.34
10	A'	1148	1104	174.78
11	A'	942	905	134.80
12	A'	833	801	81.67
13	A'	639	614	7.72
14	A'	465	447	30.52
15	A'	255	245	9.57
16	A"	3595	3456	3.70
17	A"	3091	2972	6.80
18	A"	1386	1333	0.13
19	A"	1178	1133	1.14
20	A"	920	885	4.18
21	A"	672	646	88.37
22	A"	512	493	28.53
23	A"	211	203	43.13
24	A"	55	53	7.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.551	0.000
O2	1.173	0.822	0.000
O3	-0.973	1.484	0.000
C4	-0.574	-0.856	0.000
N5	0.402	-1.921	0.000
H6	-0.524	2.341	0.000
H7	-1.234	-0.946	0.872
H8	-1.234	-0.946	-0.872
H9	1.012	-1.811	0.804
H10	1.012	-1.811	-0.804

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2038	1.3477	1.5200	2.5047	1.8651	2.1274	2.1274	2.6928	2.6928
O2	1.2038		2.2457	2.4226	2.8494	2.2778	3.1115	3.1115	2.7580	2.7580
O3	1.3477	2.2457		2.3735	3.6718	0.9679	2.5947	2.5947	3.9296	3.9296
C4	1.5200	2.4226	2.3735		1.4444	3.1977	1.0971	1.0971	2.0183	2.0183
N5	2.5047	2.8494	3.6718	1.4444		4.3616	2.0943	2.0943	1.0153	1.0153
H6	1.8651	2.2778	0.9679	3.1977	4.3616		3.4744	3.4744	4.4997	4.4997
H7	2.1274	3.1115	2.5947	1.0971	2.0943	3.4744		1.7433	2.4076	2.9327
H8	2.1274	3.1115	2.5947	1.0971	2.0943	3.4744	1.7433		2.9327	2.4076
H9	2.6928	2.7580	3.9296	2.0183	1.0153	4.4997	2.4076	2.9327		1.6084
H10	2.6928	2.7580	3.9296	2.0183	1.0153	4.4997	2.9327	2.4076	1.6084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.152	C1	C4	N5	115.303
C1	C4	H7	107.659	C1	C4	H8	107.659
O2	C1	O3	123.224	O2	C1	C4	125.192
O3	C1	C4	111.584	C4	N5	H9	109.033
C4	N5	H10	109.033	N5	C4	H7	110.238
N5	C4	H8	110.238	H7	C4	H8	105.220
H9	N5	H10	104.760

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3PW91/6-31G(2df,p)

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	0.418
2	O	-0.359
3	O	-0.393
4	C	-0.300
5	N	-0.538
6	H	0.318
7	H	0.168
8	H	0.168
9	H	0.259
10	H	0.259

	x	y	z	Total
	-0.746	0.937	0.000	1.198
CHELPG
AIM
ESP

	x	y	z
x	5.603	-0.304	0.000
y	-0.304	5.925	0.000
z	0.000	0.000	4.087

<r²>	116.901
(<r²>)^1/2	10.812

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)