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	hartrees
Energy at 0K	-281.781975
Energy at 298.15K	-281.788856
HF Energy	-281.241493
Nuclear repulsion energy	176.194418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3498	3339	15.76
2	A'	3444	3288	0.01
3	A'	3119	2978	8.70
4	A'	1774	1693	26.68
5	A'	1744	1665	108.26
6	A'	1555	1485	18.56
7	A'	1412	1348	22.50
8	A'	1352	1291	5.13
9	A'	1140	1088	59.93
10	A'	1085	1036	211.61
11	A'	873	834	119.16
12	A'	794	758	164.53
13	A'	631	603	6.44
14	A'	458	437	36.40
15	A'	243	232	10.66
16	A"	3537	3377	0.17
17	A"	3165	3022	5.97
18	A"	1420	1356	0.64
19	A"	1232	1176	0.47
20	A"	944	901	1.77
21	A"	655	625	129.05
22	A"	521	497	49.17
23	A"	231	221	56.54
24	A"	71	68	9.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.544	0.000
O2	1.201	0.843	0.000
O3	-1.024	1.489	0.000
C4	-0.588	-0.865	0.000
N5	0.444	-1.927	0.000
H6	-0.609	2.395	0.000
H7	-1.228	-0.972	0.881
H8	-1.228	-0.972	-0.881
H9	1.038	-1.845	0.829
H10	1.038	-1.845	-0.829

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2374	1.3936	1.5274	2.5111	1.9484	2.1406	2.1406	2.7340	2.7340
O2	1.2374		2.3173	2.4735	2.8715	2.3845	3.1570	3.1570	2.8178	2.8178
O3	1.3936	2.3173		2.3946	3.7186	0.9965	2.6218	2.6218	4.0074	4.0074
C4	1.5274	2.4735	2.3946		1.4808	3.2604	1.0940	1.0940	2.0716	2.0716
N5	2.5111	2.8715	3.7186	1.4808		4.4487	2.1175	2.1175	1.0230	1.0230
H6	1.9484	2.3845	0.9965	3.2604	4.4487		3.5347	3.5347	4.6240	4.6240
H7	2.1406	3.1570	2.6218	1.0940	2.1175	3.5347		1.7622	2.4287	2.9699
H8	2.1406	3.1570	2.6218	1.0940	2.1175	3.5347	1.7622		2.9699	2.4287
H9	2.7340	2.8178	4.0074	2.0716	1.0230	4.6240	2.4287	2.9699		1.6580
H10	2.7340	2.8178	4.0074	2.0716	1.0230	4.6240	2.9699	2.4287	1.6580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.064	C1	C4	N5	113.168
C1	C4	H7	108.355	C1	C4	H8	108.355
O2	C1	O3	123.355	O2	C1	C4	126.605
O3	C1	C4	110.040	C4	N5	H9	110.316
C4	N5	H10	110.316	N5	C4	H7	109.740
N5	C4	H8	109.740	H7	C4	H8	107.301
H9	N5	H10	108.263

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: MP2=FULL/3-21G

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	0.591
2	O	-0.456
3	O	-0.577
4	C	-0.302
5	N	-0.651
6	H	0.369
7	H	0.238
8	H	0.238
9	H	0.275
10	H	0.275

	x	y	z	Total
	-0.227	1.268	0.000	1.289
CHELPG
AIM
ESP

<r²>	120.748
(<r²>)^1/2	10.989

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: MP2=FULL/3-21G

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)