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	hartrees
Energy at 0K	-284.312663
Energy at 298.15K	-284.319596
Nuclear repulsion energy	179.932235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3747	3557	50.84
2	A'	3526	3348	0.86
3	A'	3090	2934	15.67
4	A'	1889	1793	273.27
5	A'	1719	1632	22.31
6	A'	1483	1408	13.51
7	A'	1441	1368	36.79
8	A'	1335	1267	12.58
9	A'	1203	1142	168.51
10	A'	1173	1114	105.83
11	A'	970	920	164.23
12	A'	850	807	79.37
13	A'	643	611	9.70
14	A'	467	443	36.40
15	A'	257	244	10.23
16	A"	3608	3425	2.04
17	A"	3133	2974	7.81
18	A"	1405	1334	0.36
19	A"	1194	1134	1.12
20	A"	931	884	4.28
21	A"	686	651	110.23
22	A"	515	489	32.40
23	A"	232	220	54.34
24	A"	64	61	6.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.546	0.000
O2	1.180	0.798	0.000
O3	-0.953	1.495	0.000
C4	-0.588	-0.850	0.000
N5	0.385	-1.912	0.000
H6	-0.487	2.348	0.000
H7	-1.244	-0.940	0.871
H8	-1.244	-0.940	-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		1.2061	1.3446	1.5148	2.4889	1.8661	2.1249	2.1249	2.6729	2.6729
O2	1.2061		2.2438	2.4160	2.8241	2.2764	3.1067	3.1067	2.7261	2.7261
O3	1.3446	2.2438		2.3730	3.6609	0.9715	2.6022	2.6022	3.9117	3.9117
C4	1.5148	2.4160	2.3730		1.4410	3.1990	1.0945	1.0945	2.0137	2.0137
N5	2.4889	2.8241	3.6609	1.4410		4.3487	2.0881	2.0881	1.0153	1.0153
H6	1.8661	2.2764	0.9715	3.1990	4.3487		3.4841	3.4841	4.4779	4.4779
H7	2.1249	3.1067	2.6022	1.0945	2.0881	3.4841		1.7422	2.3995	2.9258
H8	2.1249	3.1067	2.6022	1.0945	2.0881	3.4841	1.7422		2.9258	2.3995
H9	2.6729	2.7261	3.9117	2.0137	1.0153	4.4779	2.3995	2.9258		1.6088
H10	2.6729	2.7261	3.9117	2.0137	1.0153	4.4779	2.9258	2.3995	1.6088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.232	C1	C4	N5	114.696
C1	C4	H7	107.970	C1	C4	H8	107.970
O2	C1	O3	123.112	O2	C1	C4	124.847
O3	C1	C4	112.041	C4	N5	H9	108.901
C4	N5	H10	108.901	N5	C4	H7	110.141
N5	C4	H8	110.141	H7	C4	H8	105.488
H9	N5	H10	104.797

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	0.545
2	O	-0.464
3	O	-0.573
4	C	-0.277
5	N	-0.710
6	H	0.425
7	H	0.205
8	H	0.205
9	H	0.322
10	H	0.322

	x	y	z	Total
	-0.654	1.151	0.000	1.324
CHELPG
AIM
ESP

	x	y	z
x	5.347	-0.310	0.000
y	-0.310	5.418	0.000
z	0.000	0.000	3.701

<r²>	116.402
(<r²>)^1/2	10.789

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)