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	hartrees
Energy at 0K	-282.955422
Energy at 298.15K	-282.962596
HF Energy	-282.955422
Nuclear repulsion energy	181.306836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4097	3706	116.60
2	A'	3737	3381	5.32
3	A'	3192	2887	21.89
4	A'	1991	1801	402.67
5	A'	1810	1637	21.31
6	A'	1585	1434	11.31
7	A'	1547	1400	32.87
8	A'	1425	1289	23.72
9	A'	1286	1163	272.18
10	A'	1216	1100	73.44
11	A'	999	904	129.08
12	A'	890	805	96.26
13	A'	696	630	10.13
14	A'	503	455	29.82
15	A'	279	253	10.86
16	A"	3811	3447	10.19
17	A"	3225	2917	12.60
18	A"	1498	1355	0.04
19	A"	1287	1164	2.51
20	A"	1000	905	5.46
21	A"	687	621	102.57
22	A"	547	495	42.97
23	A"	240	217	47.50
24	A"	82	74	5.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.554	0.000
O2	1.147	0.838	0.000
O3	-0.966	1.464	0.000
C4	-0.560	-0.853	0.000
N5	0.413	-1.908	0.000
H6	-0.576	2.326	0.000
H7	-1.207	-0.941	0.865
H8	-1.207	-0.941	-0.865
H9	1.004	-1.853	0.802
H10	1.004	-1.853	-0.802

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.1819	1.3275	1.5145	2.4961	1.8633	2.1070	2.1070	2.7286	2.7286
O2	1.1819		2.2039	2.4035	2.8424	2.2765	3.0750	3.0750	2.8120	2.8120
O3	1.3275	2.2039		2.3527	3.6433	0.9456	2.5677	2.5677	3.9410	3.9410
C4	1.5145	2.4035	2.3527		1.4354	3.1790	1.0834	1.0834	2.0227	2.0227
N5	2.4961	2.8424	3.6433	1.4354		4.3477	2.0753	2.0753	0.9975	0.9975
H6	1.8633	2.2765	0.9456	3.1790	4.3477		3.4379	3.4379	4.5393	4.5393
H7	2.1070	3.0750	2.5677	1.0834	2.0753	3.4379		1.7300	2.3926	2.9152
H8	2.1070	3.0750	2.5677	1.0834	2.0753	3.4379	1.7300		2.9152	2.3926
H9	2.7286	2.8120	3.9410	2.0227	0.9975	4.5393	2.3926	2.9152		1.6034
H10	2.7286	2.8120	3.9410	2.0227	0.9975	4.5393	2.9152	2.3926	1.6034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.962	C1	C4	N5	115.567
C1	C4	H7	107.235	C1	C4	H8	107.235
O2	C1	O3	122.767	O2	C1	C4	125.644
O3	C1	C4	111.589	C4	N5	H9	111.211
C4	N5	H10	111.211	N5	C4	H7	110.178
N5	C4	H8	110.178	H7	C4	H8	105.962
H9	N5	H10	106.964

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: HF/daug-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	1.303
2	O	-1.282
3	O	-1.176
4	C	-0.100
5	N	-0.839
6	H	0.420
7	H	0.672
8	H	0.672
9	H	0.164
10	H	0.164

	x	y	z	Total
	-1.056	0.737	0.000	1.287
CHELPG
AIM
ESP

	x	y	z
x	6.032	-0.160	0.000
y	-0.160	6.301	0.000
z	0.000	0.000	4.591

<r²>	116.372
(<r²>)^1/2	10.788

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)