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	hartrees
Energy at 0K	-284.436794
Energy at 298.15K	-284.443696
Nuclear repulsion energy	179.626038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3767	3623	55.61
2	A'	3519	3384	1.70
3	A'	3046	2929	17.69
4	A'	1836	1766	283.73
5	A'	1673	1608	18.97
6	A'	1449	1393	16.00
7	A'	1404	1350	25.69
8	A'	1311	1260	12.09
9	A'	1173	1128	86.86
10	A'	1139	1096	198.38
11	A'	927	891	124.17
12	A'	829	797	92.96
13	A'	640	615	6.48
14	A'	465	448	29.98
15	A'	257	248	9.78
16	A"	3591	3453	4.28
17	A"	3081	2963	6.19
18	A"	1384	1331	0.07
19	A"	1184	1138	1.26
20	A"	918	883	4.01
21	A"	662	636	88.51
22	A"	510	491	30.39
23	A"	214	206	42.76
24	A"	62	60	5.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.551	0.000
O2	1.169	0.833	0.000
O3	-0.979	1.478	0.000
C4	-0.566	-0.856	0.000
N5	0.406	-1.921	0.000
H6	-0.543	2.342	0.000
H7	-1.224	-0.945	0.869
H8	-1.224	-0.945	-0.869
H9	1.012	-1.834	0.806
H10	1.012	-1.834	-0.806

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2025	1.3482	1.5164	2.5052	1.8717	2.1193	2.1193	2.7137	2.7137
O2	1.2025		2.2426	2.4210	2.8579	2.2824	3.1052	3.1052	2.7908	2.7908
O3	1.3482	2.2426		2.3704	3.6705	0.9674	2.5861	2.5861	3.9481	3.9481
C4	1.5164	2.4210	2.3704		1.4416	3.1981	1.0938	1.0938	2.0242	2.0242
N5	2.5052	2.8579	3.6705	1.4416		4.3675	2.0888	2.0888	1.0127	1.0127
H6	1.8717	2.2824	0.9674	3.1981	4.3675		3.4676	3.4676	4.5290	4.5290
H7	2.1193	3.1052	2.5861	1.0938	2.0888	3.4676		1.7381	2.4073	2.9322
H8	2.1193	3.1052	2.5861	1.0938	2.0888	3.4676	1.7381		2.9322	2.4073
H9	2.7137	2.7908	3.9481	2.0242	1.0127	4.5290	2.4073	2.9322		1.6126
H10	2.7137	2.7908	3.9481	2.0242	1.0127	4.5290	2.9322	2.4073	1.6126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.699	C1	C4	N5	115.733
C1	C4	H7	107.467	C1	C4	H8	107.467
O2	C1	O3	122.989	O2	C1	C4	125.463
O3	C1	C4	111.548	C4	N5	H9	109.893
C4	N5	H10	109.893	N5	C4	H7	110.192
N5	C4	H8	110.192	H7	C4	H8	105.223
H9	N5	H10	105.525

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3PW91/cc-pVTZ

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	0.268
2	O	-0.310
3	O	-0.251
4	C	-0.119
5	N	-0.292
6	H	0.213
7	H	0.113
8	H	0.113
9	H	0.132
10	H	0.132

	x	y	z	Total
	-0.835	0.809	0.000	1.162
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)