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	hartrees
Energy at 0K	-283.736270
Energy at 298.15K	-283.743166
HF Energy	-282.881836
Nuclear repulsion energy	177.980579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3737	3584	72.42
2	A'	3511	3367	2.73
3	A'	3089	2963	15.00
4	A'	1788	1715	244.91
5	A'	1656	1589	15.56
6	A'	1452	1393	13.29
7	A'	1400	1343	25.44
8	A'	1299	1246	9.89
9	A'	1173	1125	44.50
10	A'	1127	1081	263.94
11	A'	937	899	112.06
12	A'	833	799	66.84
13	A'	628	602	6.02
14	A'	463	444	31.83
15	A'	255	244	9.68
16	A"	3601	3453	7.30
17	A"	3143	3014	4.64
18	A"	1382	1325	0.17
19	A"	1180	1132	0.92
20	A"	914	877	0.91
21	A"	645	619	91.46
22	A"	515	494	27.23
23	A"	222	213	46.48
24	A"	62	59	4.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.551	0.000
O2	1.185	0.843	0.000
O3	-1.000	1.483	0.000
C4	-0.570	-0.861	0.000
N5	0.414	-1.933	0.000
H6	-0.560	2.352	0.000
H7	-1.226	-0.954	0.881
H8	-1.226	-0.954	-0.881
H9	1.027	-1.830	0.810
H10	1.027	-1.830	-0.810

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2202	1.3667	1.5228	2.5186	1.8860	2.1317	2.1317	2.7167	2.7167
O2	1.2202		2.2761	2.4461	2.8814	2.3066	3.1333	3.1333	2.7979	2.7979
O3	1.3667	2.2761		2.3829	3.6972	0.9739	2.6012	2.6012	3.9673	3.9673
C4	1.5228	2.4461	2.3829		1.4555	3.2129	1.1020	1.1020	2.0361	2.0361
N5	2.5186	2.8814	3.6972	1.4555		4.3946	2.1034	2.1034	1.0208	1.0208
H6	1.8860	2.3066	0.9739	3.2129	4.3946		3.4856	3.4856	4.5458	4.5458
H7	2.1317	3.1333	2.6012	1.1020	2.1034	3.4856		1.7614	2.4182	2.9497
H8	2.1317	3.1333	2.6012	1.1020	2.1034	3.4856	1.7614		2.9497	2.4182
H9	2.7167	2.7979	3.9673	2.0361	1.0208	4.5458	2.4182	2.9497		1.6200
H10	2.7167	2.7979	3.9673	2.0361	1.0208	4.5458	2.9497	2.4182	1.6200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.155	C1	C4	N5	115.465
C1	C4	H7	107.530	C1	C4	H8	107.530
O2	C1	O3	123.155	O2	C1	C4	125.842
O3	C1	C4	111.003	C4	N5	H9	109.357
C4	N5	H10	109.357	N5	C4	H7	109.887
N5	C4	H8	109.887	H7	C4	H8	106.100
H9	N5	H10	105.016

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: MP2/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	0.716
2	O	-0.550
3	O	-0.522
4	C	0.495
5	N	-0.288
6	H	0.167
7	H	-0.025
8	H	-0.025
9	H	0.017
10	H	0.017

	x	y	z	Total
	-0.774	0.887	0.000	1.177
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)