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	hartrees
Energy at 0K	-282.886687
Energy at 298.15K	-282.893886
Nuclear repulsion energy	180.785966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4111	3744	115.70
2	A'	3734	3401	4.59
3	A'	3205	2918	22.27
4	A'	1983	1806	398.30
5	A'	1796	1636	19.54
6	A'	1570	1430	11.25
7	A'	1542	1404	37.79
8	A'	1422	1295	11.19
9	A'	1288	1173	276.52
10	A'	1221	1112	70.86
11	A'	1012	921	134.39
12	A'	897	817	82.41
13	A'	692	630	11.18
14	A'	501	457	31.93
15	A'	278	253	10.87
16	A"	3811	3470	8.51
17	A"	3245	2955	13.18
18	A"	1490	1357	0.01
19	A"	1280	1165	2.57
20	A"	996	907	4.87
21	A"	686	624	104.95
22	A"	550	501	41.91
23	A"	246	224	49.27
24	A"	80	73	4.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.552	0.000
O2	1.154	0.836	0.000
O3	-0.966	1.470	0.000
C4	-0.565	-0.854	0.000
N5	0.410	-1.913	0.000
H6	-0.568	2.330	0.000
H7	-1.214	-0.942	0.871
H8	-1.214	-0.942	-0.871
H9	1.007	-1.845	0.802
H10	1.007	-1.845	-0.802

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.1883	1.3324	1.5151	2.4991	1.8657	2.1128	2.1128	2.7213	2.7213
O2	1.1883		2.2130	2.4099	2.8477	2.2794	3.0862	3.0862	2.8022	2.8022
O3	1.3324	2.2130		2.3578	3.6518	0.9478	2.5757	2.5757	3.9402	3.9402
C4	1.5151	2.4099	2.3578		1.4393	3.1832	1.0900	1.0900	2.0241	2.0241
N5	2.4991	2.8477	3.6518	1.4393		4.3537	2.0830	2.0830	1.0027	1.0027
H6	1.8657	2.2794	0.9478	3.1832	4.3537		3.4462	3.4462	4.5333	4.5333
H7	2.1128	3.0862	2.5757	1.0900	2.0830	3.4462		1.7421	2.3987	2.9240
H8	2.1128	3.0862	2.5757	1.0900	2.0830	3.4462	1.7421		2.9240	2.3987
H9	2.7213	2.8022	3.9402	2.0241	1.0027	4.5333	2.3987	2.9240		1.6050
H10	2.7213	2.8022	3.9402	2.0241	1.0027	4.5333	2.9240	2.3987	1.6050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.644	C1	C4	N5	115.513
C1	C4	H7	107.268	C1	C4	H8	107.268
O2	C1	O3	122.689	O2	C1	C4	125.679
O3	C1	C4	111.632	C4	N5	H9	110.695
C4	N5	H10	110.695	N5	C4	H7	110.116
N5	C4	H8	110.116	H7	C4	H8	106.096
H9	N5	H10	106.326

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: HF/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	0.899
2	O	-0.704
3	O	-0.642
4	C	0.609
5	N	-0.363
6	H	0.177
7	H	0.003
8	H	0.003
9	H	0.009
10	H	0.009

	x	y	z	Total
	-1.058	0.758	0.000	1.302
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)