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	hartrees
Energy at 0K	-283.819813
Energy at 298.15K	-283.826843
HF Energy	-282.898017
Nuclear repulsion energy	179.342934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3774	3575	49.43
2	A'	3564	3376	0.59
3	A'	3108	2944	14.14
4	A'	1846	1748	245.49
5	A'	1758	1665	24.87
6	A'	1497	1418	16.19
7	A'	1443	1366	25.32
8	A'	1343	1272	3.94
9	A'	1207	1143	140.71
10	A'	1169	1107	170.62
11	A'	995	942	189.43
12	A'	859	814	64.94
13	A'	649	615	9.02
14	A'	475	450	34.52
15	A'	263	249	9.33
16	A"	3652	3459	2.93
17	A"	3160	2992	7.27
18	A"	1426	1351	0.48
19	A"	1216	1152	0.84
20	A"	940	890	2.53
21	A"	685	649	122.03
22	A"	519	491	36.87
23	A"	252	239	56.24
24	A"	70	67	3.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.550	0.000
O2	1.176	0.829	0.000
O3	-0.982	1.478	0.000
C4	-0.572	-0.854	0.000
N5	0.409	-1.919	0.000
H6	-0.548	2.343	0.000
H7	-1.225	-0.950	0.872
H8	-1.225	-0.950	-0.872
H9	1.009	-1.821	0.809
H10	1.009	-1.821	-0.809

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2089	1.3510	1.5167	2.5029	1.8745	2.1244	2.1244	2.7006	2.7006
O2	1.2089		2.2536	2.4275	2.8536	2.2945	3.1135	3.1135	2.7757	2.7757
O3	1.3510	2.2536		2.3680	3.6708	0.9673	2.5916	2.5916	3.9369	3.9369
C4	1.5167	2.4275	2.3680		1.4480	3.1971	1.0936	1.0936	2.0222	2.0222
N5	2.5029	2.8536	3.6708	1.4480		4.3680	2.0902	2.0902	1.0123	1.0123
H6	1.8745	2.2945	0.9673	3.1971	4.3680		3.4730	3.4730	4.5180	4.5180
H7	2.1244	3.1135	2.5916	1.0936	2.0902	3.4730		1.7448	2.3982	2.9284
H8	2.1244	3.1135	2.5916	1.0936	2.0902	3.4730	1.7448		2.9284	2.3982
H9	2.7006	2.7757	3.9369	2.0222	1.0123	4.5180	2.3982	2.9284		1.6185
H10	2.7006	2.7757	3.9369	2.0222	1.0123	4.5180	2.9284	2.3982	1.6185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.745	C1	C4	N5	115.162
C1	C4	H7	107.844	C1	C4	H8	107.844
O2	C1	O3	123.275	O2	C1	C4	125.526
O3	C1	C4	111.199	C4	N5	H9	109.277
C4	N5	H10	109.277	N5	C4	H7	109.866
N5	C4	H8	109.866	H7	C4	H8	105.824
H9	N5	H10	106.144

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: MP2=FULL/6-311G*

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	0.372
2	O	-0.322
3	O	-0.515
4	C	-0.375
5	N	-0.739
6	H	0.408
7	H	0.258
8	H	0.258
9	H	0.328
10	H	0.328

	x	y	z	Total
	-0.474	1.212	0.000	1.301
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)