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	hartrees
Energy at 0K	-284.331506
Energy at 298.15K	-284.338424
Nuclear repulsion energy	179.826111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3795	3624	50.42
2	A'	3536	3376	0.95
3	A'	3074	2935	16.17
4	A'	1876	1791	266.04
5	A'	1683	1607	21.07
6	A'	1461	1395	12.58
7	A'	1426	1362	41.81
8	A'	1318	1259	13.89
9	A'	1190	1136	136.59
10	A'	1162	1110	129.59
11	A'	949	906	149.56
12	A'	841	803	90.57
13	A'	640	611	8.87
14	A'	465	444	36.00
15	A'	257	245	10.19
16	A"	3615	3452	2.30
17	A"	3117	2976	7.64
18	A"	1388	1325	0.37
19	A"	1179	1126	1.01
20	A"	923	882	4.29
21	A"	679	648	104.94
22	A"	510	487	32.64
23	A"	229	219	50.95
24	A"	63	60	6.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.547	0.000
O2	1.181	0.798	0.000
O3	-0.954	1.496	0.000
C4	-0.587	-0.851	0.000
N5	0.386	-1.914	0.000
H6	-0.489	2.346	0.000
H7	-1.245	-0.937	0.871
H8	-1.245	-0.937	-0.871
H9	0.995	-1.801	0.804
H10	0.995	-1.801	-0.804

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2077	1.3458	1.5158	2.4907	1.8646	2.1236	2.1236	2.6737	2.6737
O2	1.2077		2.2465	2.4181	2.8265	2.2772	3.1075	3.1075	2.7274	2.7274
O3	1.3458	2.2465		2.3749	3.6635	0.9691	2.5999	2.5999	3.9135	3.9135
C4	1.5158	2.4181	2.3749		1.4414	3.1981	1.0949	1.0949	2.0133	2.0133
N5	2.4907	2.8265	3.6635	1.4414		4.3488	2.0914	2.0914	1.0149	1.0149
H6	1.8646	2.2772	0.9691	3.1981	4.3488		3.4793	3.4793	4.4775	4.4775
H7	2.1236	3.1075	2.5999	1.0949	2.0914	3.4793		1.7417	2.4023	2.9277
H8	2.1236	3.1075	2.5999	1.0949	2.0914	3.4793	1.7417		2.9277	2.4023
H9	2.6737	2.7274	3.9135	2.0133	1.0149	4.4775	2.4023	2.9277		1.6079
H10	2.6737	2.7274	3.9135	2.0133	1.0149	4.4775	2.9277	2.4023	1.6079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.167	C1	C4	N5	114.736
C1	C4	H7	107.775	C1	C4	H8	107.775
O2	C1	O3	123.133	O2	C1	C4	124.825
O3	C1	C4	112.042	C4	N5	H9	108.860
C4	N5	H10	108.860	N5	C4	H7	110.354
N5	C4	H8	110.354	H7	C4	H8	105.384
H9	N5	H10	104.764

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B1B95/6-31G**

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	0.533
2	O	-0.462
3	O	-0.484
4	C	-0.178
5	N	-0.592
6	H	0.334
7	H	0.164
8	H	0.164
9	H	0.261
10	H	0.261

	x	y	z	Total
	-0.689	1.099	0.000	1.297
CHELPG
AIM
ESP

	x	y	z
x	5.415	-0.315	0.000
y	-0.315	5.522	0.000
z	0.000	0.000	3.760

<r²>	116.468
(<r²>)^1/2	10.792

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)