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	hartrees
Energy at 0K	-284.129866
Energy at 298.15K	-284.136656
Nuclear repulsion energy	177.932146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3567	3547	28.48
2	A'	3370	3351	0.37
3	A'	2970	2953	17.80
4	A'	1779	1769	234.85
5	A'	1615	1606	12.92
6	A'	1379	1371	10.97
7	A'	1350	1342	25.69
8	A'	1259	1252	7.41
9	A'	1148	1142	44.12
10	A'	1107	1100	207.75
11	A'	932	927	132.09
12	A'	811	806	57.72
13	A'	614	611	7.89
14	A'	450	447	31.03
15	A'	250	249	8.91
16	A"	3437	3417	0.36
17	A"	3010	2993	8.05
18	A"	1343	1335	1.00
19	A"	1135	1129	0.70
20	A"	889	884	3.18
21	A"	663	659	78.86
22	A"	497	494	30.37
23	A"	219	218	39.71
24	A"	48	48	6.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.550	0.000
O2	1.193	0.812	0.000
O3	-0.973	1.505	0.000
C4	-0.586	-0.860	0.000
N5	0.390	-1.938	0.000
H6	-0.485	2.361	0.000
H7	-1.258	-0.947	0.882
H8	-1.258	-0.947	-0.882
H9	1.017	-1.793	0.807
H10	1.017	-1.793	-0.807

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2210	1.3636	1.5269	2.5183	1.8749	2.1450	2.1450	2.6786	2.6786
O2	1.2210		2.2741	2.4409	2.8646	2.2835	3.1426	3.1426	2.7326	2.7326
O3	1.3636	2.2741		2.3965	3.7031	0.9855	2.6213	2.6213	3.9356	3.9356
C4	1.5269	2.4409	2.3965		1.4542	3.2226	1.1120	1.1120	2.0225	2.0225
N5	2.5183	2.8646	3.7031	1.4542		4.3872	2.1153	2.1153	1.0319	1.0319
H6	1.8749	2.2835	0.9855	3.2226	4.3872		3.5098	3.5098	4.4904	4.4904
H7	2.1450	3.1426	2.6213	1.1120	2.1153	3.5098		1.7635	2.4281	2.9565
H8	2.1450	3.1426	2.6213	1.1120	2.1153	3.5098	1.7635		2.9565	2.4281
H9	2.6786	2.7326	3.9356	2.0225	1.0319	4.4904	2.4281	2.9565		1.6133
H10	2.6786	2.7326	3.9356	2.0225	1.0319	4.4904	2.9565	2.4281	1.6133

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	104.761	C1	C4	N5	115.277
C1	C4	H7	107.712	C1	C4	H8	107.712
O2	C1	O3	123.158	O2	C1	C4	124.951
O3	C1	C4	111.890	C4	N5	H9	107.678
C4	N5	H10	107.678	N5	C4	H7	110.331
N5	C4	H8	110.331	H7	C4	H8	104.925
H9	N5	H10	102.845

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: PBEPBE/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	0.081
2	O	-0.219
3	O	-0.146
4	C	-0.003
5	N	-0.154
6	H	0.149
7	H	0.064
8	H	0.064
9	H	0.082
10	H	0.082

	x	y	z	Total
	-0.657	0.982	0.000	1.181
CHELPG
AIM
ESP

	x	y	z
x	5.742	-0.366	0.000
y	-0.366	6.210	0.000
z	0.000	0.000	3.958

<r²>	118.479
(<r²>)^1/2	10.885

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)