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	hartrees
Energy at 0K	-284.366240
Energy at 298.15K
HF Energy	-284.366240
Nuclear repulsion energy	179.219377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3847	3665	74.22
2	A'	3575	3406	2.70
3	A'	3083	2937	16.50
4	A'	1866	1778	334.05
5	A'	1690	1610	28.94
6	A'	1460	1391	18.58
7	A'	1428	1360	35.30
8	A'	1321	1259	21.89
9	A'	1197	1140	135.64
10	A'	1167	1111	156.38
11	A'	916	873	110.52
12	A'	832	793	127.71
13	A'	644	614	5.44
14	A'	473	450	33.59
15	A'	262	249	10.95
16	A"	3662	3488	9.05
17	A"	3130	2982	6.00
18	A"	1387	1322	0.07
19	A"	1190	1133	0.88
20	A"	922	878	3.50
21	A"	658	627	110.86
22	A"	507	483	34.72
23	A"	229	218	56.24
24	A"	11i	10i	5.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.551	0.000
O2	1.182	0.828	0.000
O3	-0.980	1.478	0.000
C4	-0.570	-0.848	0.000
N5	0.398	-1.915	0.000
H6	-0.532	2.333	0.000
H7	-1.223	-0.928	0.876
H8	-1.223	-0.928	-0.876
H9	0.997	-1.872	0.817
H10	0.997	-1.872	-0.817

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2138	1.3487	1.5111	2.4976	1.8599	2.1099	2.1099	2.7447	2.7447
O2	1.2138		2.2570	2.4249	2.8523	2.2807	3.1041	3.1041	2.8272	2.8272
O3	1.3487	2.2570		2.3621	3.6619	0.9654	2.5724	2.5724	3.9749	3.9749
C4	1.5111	2.4249	2.3621		1.4407	3.1818	1.0956	1.0956	2.0427	2.0427
N5	2.4976	2.8523	3.6619	1.4407		4.3485	2.0906	2.0906	1.0135	1.0135
H6	1.8599	2.2807	0.9654	3.1818	4.3485		3.4471	3.4471	4.5488	4.5488
H7	2.1099	3.1041	2.5724	1.0956	2.0906	3.4471		1.7527	2.4135	2.9474
H8	2.1099	3.1041	2.5724	1.0956	2.0906	3.4471	1.7527		2.9474	2.4135
H9	2.7447	2.8272	3.9749	2.0427	1.0135	4.5488	2.4135	2.9474		1.6332
H10	2.7447	2.8272	3.9749	2.0427	1.0135	4.5488	2.9474	2.4135	1.6332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.780	C1	C4	N5	115.564
C1	C4	H7	106.997	C1	C4	H8	106.997
O2	C1	O3	123.379	O2	C1	C4	125.374
O3	C1	C4	111.247	C4	N5	H9	111.495
C4	N5	H10	111.495	N5	C4	H7	110.287
N5	C4	H8	110.287	H7	C4	H8	106.233
H9	N5	H10	107.367

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: wB97X-D/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	0.386
2	O	-0.472
3	O	-0.451
4	C	-0.207
5	N	-0.642
6	H	0.377
7	H	0.192
8	H	0.192
9	H	0.313
10	H	0.313

	x	y	z	Total
	-0.871	0.948	0.000	1.288
CHELPG
AIM
ESP

	x	y	z
x	6.351	-0.179	0.000
y	-0.179	6.499	0.000
z	0.000	0.000	4.429

<r²>	118.347
(<r²>)^1/2	10.879

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)