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	hartrees
Energy at 0K	-323.183038
Energy at 298.15K	-323.192564
Nuclear repulsion energy	250.811177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3634	3450	13.02
2	A	3534	3355	2.37
3	A	3491	3315	283.48
4	A	3193	3032	4.03
5	A	3163	3003	18.56
6	A	3098	2942	7.90
7	A	3076	2921	11.95
8	A	1843	1750	251.61
9	A	1654	1571	32.23
10	A	1515	1438	13.07
11	A	1505	1429	3.50
12	A	1436	1363	381.61
13	A	1411	1340	6.08
14	A	1397	1326	4.70
15	A	1326	1259	13.27
16	A	1252	1189	15.10
17	A	1226	1164	9.71
18	A	1169	1110	6.53
19	A	1107	1051	45.73
20	A	1024	972	0.78
21	A	950	902	36.78
22	A	898	853	67.51
23	A	870	826	96.07
24	A	814	773	8.49
25	A	739	702	6.97
26	A	573	544	4.58
27	A	535	508	0.79
28	A	408	387	5.35
29	A	361	343	14.17
30	A	284	269	13.03
31	A	280	265	15.74
32	A	237	225	0.90
33	A	66	63	1.17

Atom	x (Å)	y (Å)	z (Å)
N1	1.101	1.323	-0.017
C2	1.425	-1.169	-0.218
C3	0.641	-0.014	0.381
C4	-0.853	-0.148	0.057
O5	-1.460	1.024	-0.175
O6	-1.431	-1.207	0.045
H7	1.473	1.295	-0.959
H8	1.849	1.642	0.583
H9	0.988	-2.117	0.083
H10	1.395	-1.118	-1.307
H11	0.696	-0.063	1.470
H12	2.464	-1.133	0.103
H13	-0.727	1.677	-0.128

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		2.5213	1.4690	2.4467	2.5829	3.5800	1.0135	1.0107	3.4436	2.7765	2.0730	2.8117	1.8653
C2	2.5213		1.5192	2.5114	3.6240	2.8683	2.5741	2.9538	1.0863	1.0904	2.1455	1.0883	3.5695
C3	1.4690	1.5192		1.5338	2.4078	2.4140	2.0501	2.0601	2.1523	2.1529	1.0917	2.1576	2.2337
C4	2.4467	2.5114	1.5338		1.3399	1.2068	2.9198	3.2833	2.6958	2.8025	2.0977	3.4606	1.8386
O5	2.5829	3.6240	2.4078	1.3399		2.2420	3.0479	3.4503	3.9906	3.7442	2.9211	4.4864	0.9825
O6	3.5800	2.8683	2.4140	1.2068	2.2420		3.9628	4.3779	2.5849	3.1339	2.8037	3.8965	2.9739
H7	1.0135	2.5741	2.0501	2.9198	3.0479	3.9628		1.6251	3.6010	2.4395	2.8899	2.8298	2.3826
H8	1.0107	2.9538	2.0601	3.2833	3.4503	4.3779	1.6251		3.8889	3.3757	2.2417	2.8827	2.6728
H9	3.4436	1.0863	2.1523	2.6958	3.9906	2.5849	3.6010	3.8889		1.7593	2.4954	1.7744	4.1693
H10	2.7765	1.0904	2.1529	2.8025	3.7442	3.1339	2.4395	3.3757	1.7593		3.0513	1.7694	3.7020
H11	2.0730	2.1455	1.0917	2.0977	2.9211	2.8037	2.8899	2.2417	2.4954	3.0513		2.4781	2.7582
H12	2.8117	1.0883	2.1576	3.4606	4.4864	3.8965	2.8298	2.8827	1.7744	1.7694	2.4781		4.2586
H13	1.8653	3.5695	2.2337	1.8386	0.9825	2.9739	2.3826	2.6728	4.1693	3.7020	2.7582	4.2586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C2	115.067	N1	C3	C4	109.112
N1	C3	H11	107.180	C2	C3	C4	110.688
C2	C3	H11	109.432	C3	N1	H7	109.981
C3	N1	H8	111.009	C3	C2	H9	110.286
C3	C2	H10	110.093	C3	C2	H12	110.589
C3	C4	O5	113.656	C3	C4	O6	123.038
C4	C3	H11	104.808	C4	O5	H13	103.613
O5	C4	O6	123.283	H7	N1	H8	106.800
H9	C2	H10	107.848	H9	C2	H12	109.361
H10	C2	H12	108.602

All results from a given calculation for CH₃CH(NH₂)COOH (Alanine)

using model chemistry: MP2/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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All results from a given calculation for CH3CH(NH2)COOH (Alanine)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CH(NH₂)COOH (Alanine)