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	hartrees
Energy at 0K	-282.773303
Energy at 298.15K	-282.780154
Nuclear repulsion energy	178.006090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3543	3383	16.82
2	A'	3471	3314	0.54
3	A'	3096	2956	9.98
4	A'	1817	1735	180.68
5	A'	1746	1667	21.87
6	A'	1501	1433	26.83
7	A'	1410	1346	35.19
8	A'	1346	1284	1.51
9	A'	1154	1102	22.98
10	A'	1113	1063	224.83
11	A'	856	817	22.20
12	A'	749	715	298.69
13	A'	634	605	2.62
14	A'	461	440	39.65
15	A'	237	227	14.01
16	A"	3565	3403	1.97
17	A"	3138	2996	4.15
18	A"	1402	1338	0.50
19	A"	1221	1166	0.79
20	A"	931	889	5.48
21	A"	673	642	129.71
22	A"	517	493	51.01
23	A"	229	219	56.63
24	A"	67	63	10.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.542	0.000
O2	1.187	0.834	0.000
O3	-1.005	1.475	0.000
C4	-0.580	-0.859	0.000
N5	0.433	-1.905	0.000
H6	-0.603	2.383	0.000
H7	-1.228	-0.958	0.877
H8	-1.228	-0.958	-0.877
H9	1.024	-1.852	0.831
H10	1.024	-1.852	-0.831

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2223	1.3715	1.5161	2.4852	1.9376	2.1277	2.1277	2.7330	2.7330
O2	1.2223		2.2838	2.4467	2.8409	2.3675	3.1323	3.1323	2.8161	2.8161
O3	1.3715	2.2838		2.3726	3.6736	0.9931	2.5964	2.5964	3.9845	3.9845
C4	1.5161	2.4467	2.3726		1.4561	3.2424	1.0948	1.0948	2.0609	2.0609
N5	2.4852	2.8409	3.6736	1.4561		4.4120	2.1031	2.1031	1.0208	1.0208
H6	1.9376	2.3675	0.9931	3.2424	4.4120		3.5110	3.5110	4.6124	4.6124
H7	2.1277	3.1323	2.5964	1.0948	2.1031	3.5110		1.7537	2.4226	2.9636
H8	2.1277	3.1323	2.5964	1.0948	2.1031	3.5110	1.7537		2.9636	2.4226
H9	2.7330	2.8161	3.9845	2.0609	1.0208	4.6124	2.4226	2.9636		1.6617
H10	2.7330	2.8161	3.9845	2.0609	1.0208	4.6124	2.9636	2.4226	1.6617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.006	C1	C4	N5	113.459
C1	C4	H7	108.077	C1	C4	H8	108.077
O2	C1	O3	123.304	O2	C1	C4	126.291
O3	C1	C4	110.405	C4	N5	H9	111.402
C4	N5	H10	111.402	N5	C4	H7	110.261
N5	C4	H8	110.261	H7	C4	H8	106.429
H9	N5	H10	108.964

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: mPW1PW91/3-21G

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	0.614
2	O	-0.497
3	O	-0.579
4	C	-0.369
5	N	-0.681
6	H	0.380
7	H	0.271
8	H	0.271
9	H	0.295
10	H	0.295

	x	y	z	Total
	-0.495	1.163	0.000	1.264
CHELPG
AIM
ESP

<r²>	118.261
(<r²>)^1/2	10.875

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)