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	hartrees
Energy at 0K	-284.346654
Energy at 298.15K	-284.353553
Nuclear repulsion energy	178.976775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3783	3632	60.61
2	A'	3545	3404	2.27
3	A'	3065	2942	17.03
4	A'	1839	1765	315.93
5	A'	1683	1616	27.59
6	A'	1454	1396	18.45
7	A'	1408	1352	28.18
8	A'	1306	1254	23.09
9	A'	1178	1131	75.00
10	A'	1147	1101	210.59
11	A'	909	873	111.30
12	A'	825	792	118.85
13	A'	637	611	5.15
14	A'	465	446	34.20
15	A'	255	245	10.87
16	A"	3631	3486	8.15
17	A"	3108	2984	5.43
18	A"	1381	1326	0.10
19	A"	1180	1133	0.77
20	A"	917	880	3.24
21	A"	660	633	104.44
22	A"	510	489	36.50
23	A"	236	227	54.40
24	A"	63	61	4.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.553	0.000
O2	1.177	0.838	0.000
O3	-0.979	1.483	0.000
C4	-0.568	-0.858	0.000
N5	0.402	-1.926	0.000
H6	-0.548	2.353	0.000
H7	-1.227	-0.948	0.872
H8	-1.227	-0.948	-0.872
H9	1.006	-1.860	0.813
H10	1.006	-1.860	-0.813

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2109	1.3506	1.5209	2.5113	1.8816	2.1259	2.1259	2.7382	2.7382
O2	1.2109		2.2504	2.4332	2.8707	2.2956	3.1191	3.1191	2.8235	2.8235
O3	1.3506	2.2504		2.3771	3.6784	0.9706	2.5953	2.5953	3.9728	3.9728
C4	1.5209	2.4332	2.3771		1.4426	3.2110	1.0967	1.0967	2.0355	2.0355
N5	2.5113	2.8707	3.6784	1.4426		4.3831	2.0900	2.0900	1.0149	1.0149
H6	1.8816	2.2956	0.9706	3.2110	4.3831		3.4815	3.4815	4.5640	4.5640
H7	2.1259	3.1191	2.5953	1.0967	2.0900	3.4815		1.7445	2.4125	2.9421
H8	2.1259	3.1191	2.5953	1.0967	2.0900	3.4815	1.7445		2.9421	2.4125
H9	2.7382	2.8235	3.9728	2.0355	1.0149	4.5640	2.4125	2.9421		1.6255
H10	2.7382	2.8235	3.9728	2.0355	1.0149	4.5640	2.9421	2.4125	1.6255

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.174	C1	C4	N5	115.839
C1	C4	H7	107.506	C1	C4	H8	107.506
O2	C1	O3	122.838	O2	C1	C4	125.544
O3	C1	C4	111.618	C4	N5	H9	110.640
C4	N5	H10	110.640	N5	C4	H7	110.034
N5	C4	H8	110.034	H7	C4	H8	105.369
H9	N5	H10	106.420

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3PW91/6-31+G**

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	0.346
2	O	-0.452
3	O	-0.428
4	C	-0.226
5	N	-0.622
6	H	0.369
7	H	0.195
8	H	0.195
9	H	0.312
10	H	0.312

	x	y	z	Total
	-0.827	0.920	0.000	1.237
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)