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	hartrees
Energy at 0K	-284.029242
Energy at 298.15K	-284.036222
HF Energy	-282.947717
Nuclear repulsion energy	180.134603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3787	3595	76.07
2	A'	3560	3380	3.56
3	A'	3114	2956	13.63
4	A'	1840	1747	233.73
5	A'	1683	1598	18.13
6	A'	1481	1406	14.16
7	A'	1430	1358	30.34
8	A'	1323	1256	18.24
9	A'	1189	1129	45.32
10	A'	1149	1091	237.45
11	A'	954	906	121.98
12	A'	847	804	88.98
13	A'	644	612	6.85
14	A'	473	449	31.13
15	A'	261	248	9.59
16	A"	3642	3458	7.69
17	A"	3147	2988	3.96
18	A"	1405	1334	0.17
19	A"	1201	1140	1.06
20	A"	930	883	2.00
21	A"	664	630	88.75
22	A"	522	496	31.78
23	A"	224	213	44.70
24	A"	72	69	5.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.545	0.000
O2	1.182	0.815	0.000
O3	-0.986	1.465	0.000
C4	-0.568	-0.840	0.000
N5	0.400	-1.898	0.000
H6	-0.520	2.309	0.000
H7	-1.214	-0.919	0.870
H8	-1.214	-0.919	-0.870
H9	0.997	-1.827	0.809
H10	0.997	-1.827	-0.809

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2123	1.3490	1.4973	2.4753	1.8392	2.0914	2.0914	2.6972	2.6972
O2	1.2123		2.2631	2.4094	2.8239	2.2639	3.0832	3.0832	2.7701	2.7701
O3	1.3490	2.2631		2.3432	3.6378	0.9640	2.5484	2.5484	3.9278	3.9278
C4	1.4973	2.4094	2.3432		1.4341	3.1498	1.0865	1.0865	2.0195	2.0195
N5	2.4753	2.8239	3.6378	1.4341		4.3064	2.0789	2.0789	1.0075	1.0075
H6	1.8392	2.2639	0.9640	3.1498	4.3064		3.4146	3.4146	4.4792	4.4792
H7	2.0914	3.0832	2.5484	1.0865	2.0789	3.4146		1.7408	2.3910	2.9211
H8	2.0914	3.0832	2.5484	1.0865	2.0789	3.4146	1.7408		2.9211	2.3910
H9	2.6972	2.7701	3.9278	2.0195	1.0075	4.4792	2.3910	2.9211		1.6175
H10	2.6972	2.7701	3.9278	2.0195	1.0075	4.4792	2.9211	2.3910	1.6175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	104.094	C1	C4	N5	115.200
C1	C4	H7	107.006	C1	C4	H8	107.006
O2	C1	O3	124.061	O2	C1	C4	125.223
O3	C1	C4	110.717	C4	N5	H9	110.383
C4	N5	H10	110.383	N5	C4	H7	110.367
N5	C4	H8	110.367	H7	C4	H8	106.462
H9	N5	H10	106.786

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: MP2=FULL/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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All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)