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	hartrees
Energy at 0K	-284.117540
Energy at 298.15K	-284.124319
Nuclear repulsion energy	177.904834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3623	3574	24.85
2	A'	3408	3361	0.19
3	A'	2985	2944	16.73
4	A'	1788	1764	225.57
5	A'	1637	1615	17.47
6	A'	1416	1396	12.21
7	A'	1362	1343	24.40
8	A'	1274	1256	8.99
9	A'	1149	1133	54.67
10	A'	1107	1092	195.21
11	A'	921	909	156.52
12	A'	808	797	70.01
13	A'	615	607	7.18
14	A'	450	443	33.48
15	A'	252	248	9.66
16	A"	3485	3437	0.45
17	A"	3026	2985	7.74
18	A"	1352	1334	0.57
19	A"	1145	1129	0.64
20	A"	895	883	3.06
21	A"	668	659	92.47
22	A"	496	489	31.70
23	A"	223	220	47.27
24	A"	47	46	6.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.552	0.000
O2	1.193	0.817	0.000
O3	-0.977	1.504	0.000
C4	-0.585	-0.861	0.000
N5	0.394	-1.937	0.000
H6	-0.498	2.362	0.000
H7	-1.250	-0.952	0.878
H8	-1.250	-0.952	-0.878
H9	1.012	-1.806	0.808
H10	1.012	-1.806	-0.808

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2219	1.3641	1.5291	2.5195	1.8771	2.1434	2.1434	2.6903	2.6903
O2	1.2219		2.2757	2.4446	2.8674	2.2902	3.1411	3.1411	2.7509	2.7509
O3	1.3641	2.2757		2.3973	3.7037	0.9820	2.6225	2.6225	3.9454	3.9454
C4	1.5291	2.4446	2.3973		1.4544	3.2237	1.1051	1.1051	2.0243	2.0243
N5	2.5195	2.8674	3.7037	1.4544		4.3899	2.1076	2.1076	1.0262	1.0262
H6	1.8771	2.2902	0.9820	3.2237	4.3899		3.5093	3.5093	4.5060	4.5060
H7	2.1434	3.1411	2.6225	1.1051	2.1076	3.5093		1.7563	2.4188	2.9480
H8	2.1434	3.1411	2.6225	1.1051	2.1076	3.5093	1.7563		2.9480	2.4188
H9	2.6903	2.7509	3.9454	2.0243	1.0262	4.5060	2.4188	2.9480		1.6169
H10	2.6903	2.7509	3.9454	2.0243	1.0262	4.5060	2.9480	2.4188	1.6169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.109	C1	C4	N5	115.211
C1	C4	H7	107.829	C1	C4	H8	107.829
O2	C1	O3	123.189	O2	C1	C4	125.032
O3	C1	C4	111.779	C4	N5	H9	108.142
C4	N5	H10	108.142	N5	C4	H7	110.116
N5	C4	H8	110.116	H7	C4	H8	105.233
H9	N5	H10	103.966

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: PBEPBE/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	0.480
2	O	-0.430
3	O	-0.441
4	C	-0.188
5	N	-0.559
6	H	0.317
7	H	0.160
8	H	0.160
9	H	0.251
10	H	0.251

	x	y	z	Total
	-0.630	1.091	0.000	1.260
CHELPG
AIM
ESP

	x	y	z
x	5.649	-0.369	0.000
y	-0.369	6.007	0.000
z	0.000	0.000	3.873

<r²>	118.656
(<r²>)^1/2	10.893

All results from a given calculation for H2NCH2COOH (Glycine)

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

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)