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	hartrees
Energy at 0K	-284.345519
Energy at 298.15K	-284.352456
Nuclear repulsion energy	179.305801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3730	3600	55.13
2	A'	3490	3368	0.96
3	A'	3051	2945	17.33
4	A'	1854	1789	274.50
5	A'	1664	1606	15.49
6	A'	1430	1380	14.19
7	A'	1409	1360	34.67
8	A'	1306	1261	10.61
9	A'	1185	1144	112.66
10	A'	1156	1115	161.78
11	A'	958	925	132.02
12	A'	841	812	69.48
13	A'	639	617	9.18
14	A'	467	450	31.35
15	A'	257	248	9.29
16	A"	3560	3435	2.42
17	A"	3094	2986	7.82
18	A"	1382	1334	0.61
19	A"	1174	1133	1.22
20	A"	921	889	4.49
21	A"	671	648	88.53
22	A"	513	495	33.27
23	A"	233	225	43.64
24	A"	62	59	5.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.548	0.000
O2	1.180	0.811	0.000
O3	-0.963	1.494	0.000
C4	-0.581	-0.854	0.000
N5	0.389	-1.924	0.000
H6	-0.496	2.348	0.000
H7	-1.247	-0.939	0.876
H8	-1.247	-0.939	-0.876
H9	1.008	-1.801	0.804
H10	1.008	-1.801	-0.804

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2088	1.3495	1.5178	2.5030	1.8673	2.1296	2.1296	2.6799	2.6799
O2	1.2088		2.2490	2.4234	2.8472	2.2744	3.1179	3.1179	2.7385	2.7385
O3	1.3495	2.2490		2.3786	3.6758	0.9738	2.6014	2.6014	3.9226	3.9226
C4	1.5178	2.4234	2.3786		1.4447	3.2035	1.1036	1.1036	2.0170	2.0170
N5	2.5030	2.8472	3.6758	1.4447		4.3635	2.1013	2.1013	1.0219	1.0219
H6	1.8673	2.2744	0.9738	3.2035	4.3635		3.4842	3.4842	4.4863	4.4863
H7	2.1296	3.1179	2.6014	1.1036	2.1013	3.4842		1.7513	2.4152	2.9411
H8	2.1296	3.1179	2.6014	1.1036	2.1013	3.4842	1.7513		2.9411	2.4152
H9	2.6799	2.7385	3.9226	2.0170	1.0219	4.4863	2.4152	2.9411		1.6083
H10	2.6799	2.7385	3.9226	2.0170	1.0219	4.4863	2.9411	2.4152	1.6083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.836	C1	C4	N5	115.298
C1	C4	H7	107.610	C1	C4	H8	107.610
O2	C1	O3	122.969	O2	C1	C4	125.059
O3	C1	C4	111.972	C4	N5	H9	108.494
C4	N5	H10	108.494	N5	C4	H7	110.378
N5	C4	H8	110.378	H7	C4	H8	105.014
H9	N5	H10	103.795

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3PW91/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	0.133
2	O	-0.256
3	O	-0.182
4	C	-0.004
5	N	-0.198
6	H	0.163
7	H	0.076
8	H	0.076
9	H	0.095
10	H	0.095

	x	y	z	Total
	-0.720	0.958	0.000	1.198
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)