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	hartrees
Energy at 0K	-283.678804
Energy at 298.15K	-283.685810
HF Energy	-282.844944
Nuclear repulsion energy	178.972176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3844	3619	53.65
2	A'	3568	3359	0.33
3	A'	3126	2943	15.60
4	A'	1869	1760	241.31
5	A'	1724	1623	19.10
6	A'	1522	1433	7.92
7	A'	1463	1377	25.46
8	A'	1353	1274	14.36
9	A'	1209	1138	177.41
10	A'	1170	1102	103.52
11	A'	990	932	165.54
12	A'	859	808	63.89
13	A'	645	607	11.24
14	A'	472	444	34.63
15	A'	265	250	9.27
16	A"	3651	3437	0.88
17	A"	3173	2987	10.52
18	A"	1425	1342	0.32
19	A"	1213	1142	1.00
20	A"	944	889	1.97
21	A"	673	634	116.44
22	A"	517	487	29.59
23	A"	248	233	53.38
24	A"	68	64	5.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.548	0.000
O2	1.184	0.818	0.000
O3	-0.975	1.491	0.000
C4	-0.583	-0.855	0.000
N5	0.400	-1.924	0.000
H6	-0.522	2.347	0.000
H7	-1.233	-0.946	0.873
H8	-1.233	-0.946	-0.873
H9	1.008	-1.807	0.804
H10	1.008	-1.807	-0.804

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2145	1.3560	1.5200	2.5043	1.8729	2.1248	2.1248	2.6847	2.6847
O2	1.2145		2.2617	2.4339	2.8515	2.2915	3.1169	3.1169	2.7503	2.7503
O3	1.3560	2.2617		2.3783	3.6810	0.9685	2.6007	2.6007	3.9306	3.9306
C4	1.5200	2.4339	2.3783		1.4523	3.2027	1.0920	1.0920	2.0208	2.0208
N5	2.5043	2.8515	3.6810	1.4523		4.3692	2.0946	2.0946	1.0148	1.0148
H6	1.8729	2.2915	0.9685	3.2027	4.3692		3.4795	3.4795	4.4987	4.4987
H7	2.1248	3.1169	2.6007	1.0920	2.0946	3.4795		1.7461	2.4017	2.9286
H8	2.1248	3.1169	2.6007	1.0920	2.0946	3.4795	1.7461		2.9286	2.4017
H9	2.6847	2.7503	3.9306	2.0208	1.0148	4.4987	2.4017	2.9286		1.6083
H10	2.6847	2.7503	3.9306	2.0208	1.0148	4.4987	2.9286	2.4017	1.6083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.158	C1	C4	N5	114.798
C1	C4	H7	107.739	C1	C4	H8	107.739
O2	C1	O3	123.163	O2	C1	C4	125.389
O3	C1	C4	111.449	C4	N5	H9	108.694
C4	N5	H10	108.694	N5	C4	H7	110.008
N5	C4	H8	110.008	H7	C4	H8	106.161
H9	N5	H10	104.830

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: QCISD/6-31G**

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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All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: QCISD/6-31G**

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)