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	hartrees
Energy at 0K	-284.460542
Energy at 298.15K
HF Energy	-284.460542
Nuclear repulsion energy	179.790078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3821	3655	67.23
2	A'	3554	3400	2.91
3	A'	3071	2938	17.58
4	A'	1855	1774	316.20
5	A'	1678	1605	20.44
6	A'	1454	1390	16.96
7	A'	1420	1358	28.29
8	A'	1322	1265	14.45
9	A'	1188	1136	121.56
10	A'	1157	1107	179.68
11	A'	917	877	94.57
12	A'	829	793	109.61
13	A'	646	618	5.18
14	A'	473	452	29.77
15	A'	263	252	10.12
16	A"	3628	3471	7.59
17	A"	3110	2975	5.50
18	A"	1388	1328	0.03
19	A"	1194	1142	1.37
20	A"	919	879	3.58
21	A"	652	624	90.63
22	A"	506	484	29.10
23	A"	199	191	43.84
24	A"	41i	39i	5.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.550	0.000
O2	1.175	0.827	0.000
O3	-0.978	1.474	0.000
C4	-0.567	-0.846	0.000
N5	0.400	-1.910	0.000
H6	-0.528	2.323	0.000
H7	-1.218	-0.925	0.874
H8	-1.218	-0.925	-0.874
H9	0.998	-1.861	0.812
H10	0.998	-1.861	-0.812

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2070	1.3457	1.5068	2.4923	1.8506	2.1026	2.1026	2.7328	2.7328
O2	1.2070		2.2482	2.4154	2.8448	2.2667	3.0914	3.0914	2.8139	2.8139
O3	1.3457	2.2482		2.3561	3.6539	0.9619	2.5638	2.5638	3.9606	3.9606
C4	1.5068	2.4154	2.3561		1.4379	3.1701	1.0925	1.0925	2.0344	2.0344
N5	2.4923	2.8448	3.6539	1.4379		4.3342	2.0864	2.0864	1.0096	1.0096
H6	1.8506	2.2667	0.9619	3.1701	4.3342		3.4337	3.4337	4.5276	4.5276
H7	2.1026	3.0914	2.5638	1.0925	2.0864	3.4337		1.7482	2.4063	2.9377
H8	2.1026	3.0914	2.5638	1.0925	2.0864	3.4337	1.7482		2.9377	2.4063
H9	2.7328	2.8139	3.9606	2.0344	1.0096	4.5276	2.4063	2.9377		1.6244
H10	2.7328	2.8139	3.9606	2.0344	1.0096	4.5276	2.9377	2.4063	1.6244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.425	C1	C4	N5	115.616
C1	C4	H7	106.892	C1	C4	H8	106.892
O2	C1	O3	123.356	O2	C1	C4	125.393
O3	C1	C4	111.251	C4	N5	H9	111.245
C4	N5	H10	111.245	N5	C4	H7	110.341
N5	C4	H8	110.341	H7	C4	H8	106.277
H9	N5	H10	107.115

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: wB97X-D/aug-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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Number	Element	Mulliken
1	C	0.550
2	O	-0.721
3	O	-0.350
4	C	0.047
5	N	-0.450
6	H	0.195
7	H	0.292
8	H	0.292
9	H	0.072
10	H	0.072

	x	y	z	Total
	-0.930	0.798	0.000	1.225
CHELPG
AIM
ESP

	x	y	z
x	6.719	-0.207	0.000
y	-0.207	7.240	0.000
z	0.000	0.000	4.982

<r²>	117.594
(<r²>)^1/2	10.844

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)