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	hartrees
Energy at 0K	-284.256439
Energy at 298.15K	-284.263118
Nuclear repulsion energy	175.078614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3419	3393	2.53
2	A'	3412	3386	0.13
3	A'	2983	2960	17.41
4	A'	1683	1670	28.90
5	A'	1674	1661	172.24
6	A'	1457	1446	20.97
7	A'	1353	1343	8.24
8	A'	1274	1264	12.29
9	A'	1118	1110	4.35
10	A'	1030	1022	245.85
11	A'	804	798	22.03
12	A'	692	687	295.68
13	A'	598	593	3.46
14	A'	439	435	41.23
15	A'	245	243	14.76
16	A"	3517	3491	0.24
17	A"	3021	2998	10.32
18	A"	1351	1341	0.06
19	A"	1167	1158	0.11
20	A"	899	892	3.10
21	A"	646	641	127.83
22	A"	495	491	42.36
23	A"	231	229	51.24
24	A"	57	56	4.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.553	0.000
O2	1.205	0.869	0.000
O3	-1.031	1.503	0.000
C4	-0.566	-0.877	0.000
N5	0.435	-1.942	0.000
H6	-0.632	2.416	0.000
H7	-1.225	-0.979	0.880
H8	-1.225	-0.979	-0.880
H9	1.022	-1.949	0.839
H10	1.022	-1.949	-0.839

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2458	1.4024	1.5378	2.5328	1.9672	2.1502	2.1502	2.8301	2.8301
O2	1.2458		2.3246	2.4870	2.9148	2.4016	3.1774	3.1774	2.9463	2.9463
O3	1.4024	2.3246		2.4251	3.7445	0.9961	2.6413	2.6413	4.1036	4.1036
C4	1.5378	2.4870	2.4251		1.4620	3.2934	1.1043	1.1043	2.0918	2.0918
N5	2.5328	2.9148	3.7445	1.4620		4.4868	2.1112	2.1112	1.0238	1.0238
H6	1.9672	2.4016	0.9961	3.2934	4.4868		3.5573	3.5573	4.7428	4.7428
H7	2.1502	3.1774	2.6413	1.1043	2.1112	3.5573		1.7609	2.4473	2.9906
H8	2.1502	3.1774	2.6413	1.1043	2.1112	3.5573	1.7609		2.9906	2.4473
H9	2.8301	2.9463	4.1036	2.0918	1.0238	4.7428	2.4473	2.9906		1.6779
H10	2.8301	2.9463	4.1036	2.0918	1.0238	4.7428	2.9906	2.4473	1.6779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.030	C1	C4	N5	115.176
C1	C4	H7	107.815	C1	C4	H8	107.815
O2	C1	O3	122.644	O2	C1	C4	126.300
O3	C1	C4	111.056	C4	N5	H9	113.427
C4	N5	H10	113.427	N5	C4	H7	109.920
N5	C4	H8	109.920	H7	C4	H8	105.748
H9	N5	H10	110.060

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: BLYP/6-31G

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	0.400
2	O	-0.379
3	O	-0.500
4	C	-0.167
5	N	-0.600
6	H	0.361
7	H	0.170
8	H	0.170
9	H	0.273
10	H	0.273

	x	y	z	Total
	-0.478	0.724	0.000	0.867
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)