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	hartrees
Energy at 0K	-284.454686
Energy at 298.15K
HF Energy	-284.454686
Nuclear repulsion energy	179.872355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3826	3658	64.80
2	A'	3547	3391	2.09
3	A'	3071	2936	17.36
4	A'	1864	1782	299.97
5	A'	1680	1606	19.85
6	A'	1456	1392	15.75
7	A'	1423	1361	30.62
8	A'	1325	1267	12.83
9	A'	1189	1137	136.66
10	A'	1158	1107	153.80
11	A'	933	892	122.78
12	A'	835	799	99.41
13	A'	647	619	6.68
14	A'	473	452	29.53
15	A'	263	252	9.90
16	A"	3620	3461	4.57
17	A"	3110	2973	6.75
18	A"	1391	1330	0.05
19	A"	1195	1142	1.39
20	A"	922	882	4.05
21	A"	659	630	92.53
22	A"	508	486	29.81
23	A"	195	187	42.28
24	A"	45i	43i	7.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.549	0.000
O2	1.175	0.822	0.000
O3	-0.977	1.474	0.000
C4	-0.569	-0.846	0.000
N5	0.399	-1.908	0.000
H6	-0.521	2.321	0.000
H7	-1.220	-0.924	0.874
H8	-1.220	-0.924	-0.874
H9	0.997	-1.850	0.811
H10	0.997	-1.850	-0.811

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2066	1.3455	1.5065	2.4896	1.8466	2.1029	2.1029	2.7219	2.7219
O2	1.2066		2.2487	2.4137	2.8389	2.2629	3.0905	3.0905	2.7987	2.7987
O3	1.3455	2.2487		2.3556	3.6517	0.9617	2.5640	2.5640	3.9505	3.9505
C4	1.5065	2.4137	2.3556		1.4375	3.1669	1.0927	1.0927	2.0298	2.0298
N5	2.4896	2.8389	3.6517	1.4375		4.3279	2.0869	2.0869	1.0096	1.0096
H6	1.8466	2.2629	0.9617	3.1669	4.3279		3.4323	3.4323	4.5120	4.5120
H7	2.1029	3.0905	2.5640	1.0927	2.0869	3.4323		1.7483	2.4038	2.9351
H8	2.1029	3.0905	2.5640	1.0927	2.0869	3.4323	1.7483		2.9351	2.4038
H9	2.7219	2.7987	3.9505	2.0298	1.0096	4.5120	2.4038	2.9351		1.6226
H10	2.7219	2.7987	3.9505	2.0298	1.0096	4.5120	2.9351	2.4038	1.6226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.113	C1	C4	N5	115.465
C1	C4	H7	106.927	C1	C4	H8	106.927
O2	C1	O3	123.463	O2	C1	C4	125.290
O3	C1	C4	111.247	C4	N5	H9	110.880
C4	N5	H10	110.880	N5	C4	H7	110.394
N5	C4	H8	110.394	H7	C4	H8	106.260
H9	N5	H10	106.947

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: wB97X-D/cc-pVTZ

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	0.269
2	O	-0.314
3	O	-0.245
4	C	-0.111
5	N	-0.289
6	H	0.210
7	H	0.111
8	H	0.111
9	H	0.129
10	H	0.129

	x	y	z	Total
	-0.866	0.843	0.000	1.209
CHELPG
AIM
ESP

	x	y	z
x	6.050	-0.253	0.000
y	-0.253	6.305	0.000
z	0.000	0.000	4.400

<r²>	117.125
(<r²>)^1/2	10.822

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)