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	hartrees
Energy at 0K	-282.742276
Energy at 298.15K	-282.749097
Nuclear repulsion energy	177.538897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3507	3371	11.55
2	A'	3446	3312	0.23
3	A'	3077	2958	10.89
4	A'	1798	1728	174.37
5	A'	1737	1669	20.70
6	A'	1493	1435	26.18
7	A'	1397	1343	31.00
8	A'	1337	1285	1.61
9	A'	1145	1100	19.64
10	A'	1098	1056	225.39
11	A'	844	811	21.20
12	A'	742	713	296.04
13	A'	628	604	2.64
14	A'	456	439	38.51
15	A'	235	226	13.89
16	A"	3539	3401	1.16
17	A"	3118	2997	4.88
18	A"	1394	1340	0.56
19	A"	1214	1167	0.74
20	A"	925	889	4.99
21	A"	670	644	126.40
22	A"	513	493	51.14
23	A"	230	221	56.52
24	A"	65	63	9.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.544	0.000
O2	1.188	0.843	0.000
O3	-1.013	1.475	0.000
C4	-0.577	-0.863	0.000
N5	0.438	-1.911	0.000
H6	-0.611	2.386	0.000
H7	-1.226	-0.964	0.878
H8	-1.226	-0.964	-0.878
H9	1.030	-1.856	0.832
H10	1.030	-1.856	-0.832

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2249	1.3760	1.5204	2.4940	1.9404	2.1322	2.1322	2.7405	2.7405
O2	1.2249		2.2900	2.4542	2.8545	2.3697	3.1400	3.1400	2.8281	2.8281
O3	1.3760	2.2900		2.3783	3.6841	0.9957	2.6007	2.6007	3.9949	3.9949
C4	1.5204	2.4542	2.3783		1.4588	3.2488	1.0965	1.0965	2.0637	2.0637
N5	2.4940	2.8545	3.6841	1.4588		4.4231	2.1060	2.1060	1.0227	1.0227
H6	1.9404	2.3697	0.9957	3.2488	4.4231		3.5168	3.5168	4.6231	4.6231
H7	2.1322	3.1400	2.6007	1.0965	2.1060	3.5168		1.7561	2.4259	2.9676
H8	2.1322	3.1400	2.6007	1.0965	2.1060	3.5168	1.7561		2.9676	2.4259
H9	2.7405	2.8281	3.9949	2.0637	1.0227	4.6231	2.4259	2.9676		1.6639
H10	2.7405	2.8281	3.9949	2.0637	1.0227	4.6231	2.9676	2.4259	1.6639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.744	C1	C4	N5	113.657
C1	C4	H7	108.033	C1	C4	H8	108.033
O2	C1	O3	123.294	O2	C1	C4	126.411
O3	C1	C4	110.295	C4	N5	H9	111.313
C4	N5	H10	111.313	N5	C4	H7	110.209
N5	C4	H8	110.209	H7	C4	H8	106.412
H9	N5	H10	108.872

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3PW91/3-21G

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	0.598
2	O	-0.489
3	O	-0.568
4	C	-0.364
5	N	-0.671
6	H	0.377
7	H	0.267
8	H	0.267
9	H	0.292
10	H	0.292

	x	y	z	Total
	-0.473	1.156	0.000	1.249
CHELPG
AIM
ESP

<r²>	118.829
(<r²>)^1/2	10.901

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)