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	hartrees
Energy at 0K	-282.869082
Energy at 298.15K	-282.876270
Nuclear repulsion energy	181.358600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4119	3730	105.90
2	A'	3742	3388	3.81
3	A'	3197	2895	21.58
4	A'	2020	1829	363.82
5	A'	1812	1640	22.01
6	A'	1584	1434	9.57
7	A'	1553	1406	35.06
8	A'	1433	1298	17.36
9	A'	1292	1170	280.47
10	A'	1221	1106	48.23
11	A'	1024	927	159.12
12	A'	900	815	83.74
13	A'	697	631	13.60
14	A'	503	455	30.04
15	A'	278	252	10.29
16	A"	3817	3456	7.02
17	A"	3235	2929	14.16
18	A"	1500	1358	0.00
19	A"	1283	1162	2.51
20	A"	1003	909	6.48
21	A"	700	634	108.20
22	A"	550	498	38.32
23	A"	240	217	48.37
24	A"	79	71	6.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.553	0.000
O2	1.150	0.824	0.000
O3	-0.959	1.470	0.000
C4	-0.569	-0.852	0.000
N5	0.409	-1.907	0.000
H6	-0.554	2.325	0.000
H7	-1.217	-0.941	0.867
H8	-1.217	-0.941	-0.867
H9	1.004	-1.827	0.799
H10	1.004	-1.827	-0.799

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.1817	1.3272	1.5156	2.4936	1.8567	2.1125	2.1125	2.7032	2.7032
O2	1.1817		2.2054	2.4011	2.8304	2.2702	3.0774	3.0774	2.7727	2.7727
O3	1.3272	2.2054		2.3550	3.6439	0.9457	2.5753	2.5753	3.9193	3.9193
C4	1.5156	2.4011	2.3550		1.4384	3.1771	1.0858	1.0858	2.0155	2.0155
N5	2.4936	2.8304	3.6439	1.4384		4.3401	2.0804	2.0804	0.9997	0.9997
H6	1.8567	2.2702	0.9457	3.1771	4.3401		3.4433	3.4433	4.5055	4.5055
H7	2.1125	3.0774	2.5753	1.0858	2.0804	3.4433		1.7331	2.3922	2.9141
H8	2.1125	3.0774	2.5753	1.0858	2.0804	3.4433	1.7331		2.9141	2.3922
H9	2.7032	2.7727	3.9193	2.0155	0.9997	4.5055	2.3922	2.9141		1.5980
H10	2.7032	2.7727	3.9193	2.0155	0.9997	4.5055	2.9141	2.3922	1.5980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.383	C1	C4	N5	115.136
C1	C4	H7	107.448	C1	C4	H8	107.448
O2	C1	O3	122.953	O2	C1	C4	125.343
O3	C1	C4	111.704	C4	N5	H9	110.220
C4	N5	H10	110.220	N5	C4	H7	110.229
N5	C4	H8	110.229	H7	C4	H8	105.896
H9	N5	H10	106.124

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: HF/6-31G(2df,p)

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	0.560
2	O	-0.453
3	O	-0.507
4	C	-0.215
5	N	-0.619
6	H	0.349
7	H	0.167
8	H	0.167
9	H	0.276
10	H	0.276

	x	y	z
x	5.181	-0.228	0.000
y	-0.228	5.181	0.000
z	0.000	0.000	3.903

<r²>	115.689
(<r²>)^1/2	10.756

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)