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	hartrees
Energy at 0K	-284.405040
Energy at 298.15K	-284.411748
Nuclear repulsion energy	176.554132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3579	3573	33.78
2	A'	3380	3374	0.87
3	A'	2970	2964	18.34
4	A'	1722	1719	261.15
5	A'	1612	1609	15.65
6	A'	1399	1396	15.38
7	A'	1325	1322	5.67
8	A'	1253	1251	6.13
9	A'	1112	1110	33.75
10	A'	1057	1055	254.37
11	A'	873	871	122.42
12	A'	781	779	60.63
13	A'	603	601	4.67
14	A'	442	441	29.16
15	A'	248	248	9.46
16	A"	3451	3445	2.37
17	A"	3005	2999	6.96
18	A"	1334	1332	0.09
19	A"	1142	1140	0.77
20	A"	883	882	1.39
21	A"	632	631	84.33
22	A"	497	496	24.64
23	A"	206	206	41.65
24	A"	46	46	3.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.559	0.000
O2	1.183	0.868	0.000
O3	-1.017	1.490	0.000
C4	-0.561	-0.874	0.000
N5	0.427	-1.953	0.000
H6	-0.589	2.375	0.000
H7	-1.222	-0.974	0.883
H8	-1.222	-0.974	-0.883
H9	1.043	-1.867	0.816
H10	1.043	-1.867	-0.816

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2226	1.3793	1.5385	2.5483	1.9089	2.1498	2.1498	2.7639	2.7639
O2	1.2226		2.2861	2.4651	2.9213	2.3253	3.1552	3.1552	2.8581	2.8581
O3	1.3793	2.2861		2.4077	3.7345	0.9823	2.6258	2.6258	4.0229	4.0229
C4	1.5385	2.4651	2.4077		1.4638	3.2483	1.1071	1.1071	2.0560	2.0560
N5	2.5483	2.9213	3.7345	1.4638		4.4456	2.1112	2.1112	1.0263	1.0263
H6	1.9089	2.3253	0.9823	3.2483	4.4456		3.5203	3.5203	4.6174	4.6174
H7	2.1498	3.1552	2.6258	1.1071	2.1112	3.5203		1.7658	2.4354	2.9688
H8	2.1498	3.1552	2.6258	1.1071	2.1112	3.5203	1.7658		2.9688	2.4354
H9	2.7639	2.8581	4.0229	2.0560	1.0263	4.6174	2.4354	2.9688		1.6325
H10	2.7639	2.8581	4.0229	2.0560	1.0263	4.6174	2.9688	2.4354	1.6325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.647	C1	C4	N5	116.134
C1	C4	H7	107.577	C1	C4	H8	107.577
O2	C1	O3	122.838	O2	C1	C4	126.069
O3	C1	C4	111.092	C4	N5	H9	110.073
C4	N5	H10	110.073	N5	C4	H7	109.628
N5	C4	H8	109.628	H7	C4	H8	105.781
H9	N5	H10	105.374

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: BLYP/aug-cc-pVDZ

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	0.578
2	O	-0.472
3	O	-0.364
4	C	0.910
5	N	-0.020
6	H	0.133
7	H	-0.296
8	H	-0.296
9	H	-0.086
10	H	-0.086

	x	y	z	Total
	-0.860	0.690	0.000	1.103
CHELPG
AIM
ESP

	x	y	z
x	7.331	-0.320	0.000
y	-0.320	8.270	0.000
z	0.000	0.000	5.287

<r²>	121.812
(<r²>)^1/2	11.037

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)