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	hartrees
Energy at 0K	-284.380850
Energy at 298.15K	-284.387775
Nuclear repulsion energy	179.404878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3817	3633	67.44
2	A'	3571	3399	2.91
3	A'	3083	2935	16.46
4	A'	1858	1768	323.36
5	A'	1693	1611	28.47
6	A'	1462	1391	18.89
7	A'	1422	1354	33.25
8	A'	1316	1252	23.91
9	A'	1190	1132	87.43
10	A'	1160	1104	195.93
11	A'	918	873	106.97
12	A'	833	793	126.31
13	A'	642	611	5.25
14	A'	469	447	34.79
15	A'	257	245	11.07
16	A"	3657	3481	9.48
17	A"	3128	2977	5.01
18	A"	1389	1322	0.08
19	A"	1187	1130	0.83
20	A"	923	878	3.45
21	A"	663	631	106.22
22	A"	513	488	36.79
23	A"	235	224	54.79
24	A"	64	61	5.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.552	0.000
O2	1.175	0.833	0.000
O3	-0.974	1.481	0.000
C4	-0.569	-0.855	0.000
N5	0.399	-1.921	0.000
H6	-0.544	2.349	0.000
H7	-1.226	-0.944	0.871
H8	-1.226	-0.944	-0.871
H9	1.002	-1.856	0.812
H10	1.002	-1.856	-0.812

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2084	1.3465	1.5174	2.5044	1.8775	2.1217	2.1217	2.7316	2.7316
O2	1.2084		2.2448	2.4272	2.8609	2.2916	3.1123	3.1123	2.8146	2.8146
O3	1.3465	2.2448		2.3714	3.6688	0.9682	2.5899	2.5899	3.9629	3.9629
C4	1.5174	2.4272	2.3714		1.4396	3.2039	1.0952	1.0952	2.0320	2.0320
N5	2.5044	2.8609	3.6688	1.4396		4.3723	2.0868	2.0868	1.0130	1.0130
H6	1.8775	2.2916	0.9682	3.2039	4.3723		3.4743	3.4743	4.5532	4.5532
H7	2.1217	3.1123	2.5899	1.0952	2.0868	3.4743		1.7422	2.4086	2.9376
H8	2.1217	3.1123	2.5899	1.0952	2.0868	3.4743	1.7422		2.9376	2.4086
H9	2.7316	2.8146	3.9629	2.0320	1.0130	4.5532	2.4086	2.9376		1.6232
H10	2.7316	2.8146	3.9629	2.0320	1.0130	4.5532	2.9376	2.4086	1.6232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.279	C1	C4	N5	115.730
C1	C4	H7	107.505	C1	C4	H8	107.505
O2	C1	O3	122.867	O2	C1	C4	125.478
O3	C1	C4	111.655	C4	N5	H9	110.684
C4	N5	H10	110.684	N5	C4	H7	110.085
N5	C4	H8	110.085	H7	C4	H8	105.388
H9	N5	H10	106.488

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: mPW1PW91/6-31+G**

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	0.347
2	O	-0.452
3	O	-0.433
4	C	-0.239
5	N	-0.631
6	H	0.373
7	H	0.201
8	H	0.201
9	H	0.316
10	H	0.316

	x	y	z	Total
	-0.841	0.926	0.000	1.251
CHELPG
AIM
ESP

<r²>	118.080
(<r²>)^1/2	10.866

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)