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	hartrees
Energy at 0K	-284.435130
Energy at 298.15K	-284.442009
Nuclear repulsion energy	180.176027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3776	3614	58.29
2	A	3596	3442	4.17
3	A	3524	3373	1.70
4	A	3096	2964	6.31
5	A	3061	2929	17.64
6	A	1849	1770	284.44
7	A	1674	1602	18.84
8	A	1451	1389	15.05
9	A	1408	1348	31.83
10	A	1384	1324	0.10
11	A	1309	1253	14.91
12	A	1181	1131	2.01
13	A	1175	1125	92.68
14	A	1145	1096	185.92
15	A	932	892	119.03
16	A	916	877	4.05
17	A	833	798	94.45
18	A	659	631	88.05
19	A	639	611	7.14
20	A	508	486	31.41
21	A	463	443	32.21
22	A	253	242	10.32
23	A	197	189	40.52
24	A	68	65	8.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.536	0.108	0.000
O2	-0.566	1.308	0.001
O3	-1.646	-0.652	-0.001
C4	0.720	-0.732	0.002
N5	1.953	0.011	-0.001
H6	-2.398	-0.047	-0.002
H7	0.677	-1.389	0.872
H8	0.676	-1.395	-0.863
H9	1.977	0.630	0.799
H10	1.979	0.619	-0.808

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2004	1.3447	1.5116	2.4914	1.8684	2.1150	2.1156	2.6878	2.6913
O2	1.2004		2.2379	2.4117	2.8332	2.2790	3.0948	3.0978	2.7495	2.7578
O3	1.3447	2.2379		2.3672	3.6594	0.9659	2.5884	2.5857	3.9246	3.9251
C4	1.5116	2.4117	2.3672		1.4396	3.1930	1.0911	1.0911	2.0168	2.0169
N5	2.4914	2.8332	3.6594	1.4396		4.3519	2.0861	2.0862	1.0113	1.0113
H6	1.8684	2.2790	0.9659	3.1930	4.3519		3.4672	3.4660	4.4985	4.5007
H7	2.1150	3.0948	2.5884	1.0911	2.0861	3.4672		1.7354	2.4021	2.9247
H8	2.1156	3.0978	2.5857	1.0911	2.0862	3.4660	1.7354		2.9247	2.3998
H9	2.6878	2.7495	3.9246	2.0168	1.0113	4.4985	2.4021	2.9247		1.6073
H10	2.6913	2.7578	3.9251	2.0169	1.0113	4.5007	2.9247	2.3998	1.6073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.772	C1	C4	N5	115.150
C1	C4	H7	107.605	C1	C4	H8	107.655
O2	C1	O3	123.019	O2	C1	C4	125.169
O3	C1	C4	111.812	C4	N5	H9	109.510
C4	N5	H10	109.514	N5	C4	H7	110.276
N5	C4	H8	110.294	H7	C4	H8	105.360
H9	N5	H10	105.245

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B1B95/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	0.263
2	O	-0.307
3	O	-0.255
4	C	-0.183
5	N	-0.327
6	H	0.225
7	H	0.140
8	H	0.140
9	H	0.152
10	H	0.152

	x	y	z	Total
	-1.008	-0.648	-0.007	1.198
CHELPG
AIM
ESP

	x	y	z
x	6.531	0.185	-0.000
y	0.185	5.980	-0.000
z	-0.000	-0.000	4.393

<r²>	116.563
(<r²>)^1/2	10.796

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)