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	hartrees
Energy at 0K	-322.635495
Energy at 298.15K	-322.645215
Nuclear repulsion energy	251.302781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3758	3479	210.30
2	A	3737	3459	12.79
3	A	3643	3372	5.83
4	A	3288	3044	7.45
5	A	3246	3005	28.37
6	A	3180	2944	14.70
7	A	3174	2939	13.23
8	A	1990	1843	301.31
9	A	1779	1647	44.35
10	A	1598	1480	16.32
11	A	1591	1473	2.39
12	A	1524	1411	416.15
13	A	1517	1404	4.77
14	A	1487	1377	50.02
15	A	1421	1316	58.65
16	A	1326	1227	5.75
17	A	1302	1205	7.10
18	A	1234	1143	9.36
19	A	1177	1090	61.09
20	A	1081	1001	0.39
21	A	1006	932	63.78
22	A	962	890	85.70
23	A	864	800	6.13
24	A	834	772	127.14
25	A	779	722	18.32
26	A	585	542	10.87
27	A	562	520	1.32
28	A	434	401	6.90
29	A	386	358	18.13
30	A	307	285	17.82
31	A	298	276	13.26
32	A	246	228	1.03
33	A	74	68	1.35

Atom	x (Å)	y (Å)	z (Å)
N1	1.045	1.364	-0.066
C2	1.484	-1.115	-0.167
C3	0.640	0.029	0.372
C4	-0.842	-0.178	0.050
O5	-1.533	0.948	-0.111
O6	-1.348	-1.261	-0.012
H7	1.329	1.347	-1.036
H8	1.836	1.696	0.465
H9	1.109	-2.068	0.192
H10	1.451	-1.132	-1.256
H11	0.689	0.027	1.462
H12	2.520	-1.000	0.145
H13	-0.895	1.678	-0.060

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		2.5200	1.4627	2.4394	2.6117	3.5528	1.0111	1.0085	3.4424	2.7953	2.0616	2.7941	1.9651
C2	2.5200		1.5203	2.5165	3.6551	2.8395	2.6153	2.9026	1.0848	1.0892	2.1423	1.0882	3.6706
C3	1.4627	1.5203		1.5302	2.4082	2.4007	2.0480	2.0537	2.1560	2.1578	1.0911	2.1547	2.2942
C4	2.4394	2.5165	1.5302		1.3307	1.1976	2.8658	3.2941	2.7200	2.8057	2.0929	3.4616	1.8602
O5	2.6117	3.6551	2.4082	1.3307		2.2192	3.0337	3.4985	4.0209	3.8135	2.8742	4.5036	0.9714
O6	3.5528	2.8395	2.4007	1.1976	2.2192		3.8747	4.3713	2.5941	3.0655	2.8255	3.8796	2.9749
H7	1.0111	2.6153	2.0480	2.8658	3.0337	3.8747		1.6225	3.6352	2.4916	2.8969	2.8842	2.4509
H8	1.0085	2.9026	2.0537	3.2941	3.4985	4.3713	1.6225		3.8428	3.3326	2.2571	2.7991	2.7806
H9	3.4424	1.0848	2.1560	2.7200	4.0209	2.5941	3.6352	3.8428		1.7572	2.4854	1.7700	4.2561
H10	2.7953	1.0892	2.1578	2.8057	3.8135	3.0655	2.4916	3.3326	1.7572		3.0513	1.7668	3.8515
H11	2.0616	2.1423	1.0911	2.0929	2.8742	2.8255	2.8969	2.2571	2.4854	3.0513		2.4776	2.7483
H12	2.7941	1.0882	2.1547	3.4616	4.5036	3.8796	2.8842	2.7991	1.7700	1.7668	2.4776		4.3443
H13	1.9651	3.6706	2.2942	1.8602	0.9714	2.9749	2.4509	2.7806	4.2561	3.8515	2.7483	4.3443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C2	115.283	N1	C3	C4	109.165
N1	C3	H11	106.750	C2	C3	C4	111.167
C2	C3	H11	109.139	C3	N1	H7	110.432
C3	N1	H8	111.085	C3	C2	H9	110.599
C3	C2	H10	110.473	C3	C2	H12	110.286
C3	C4	O5	114.472	C3	C4	O6	122.842
C4	C3	H11	104.719	C4	O5	H13	106.770
O5	C4	O6	122.648	H7	N1	H8	106.909
H9	C2	H10	107.858	H9	C2	H12	109.086
H10	C2	H12	108.470

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

using model chemistry: CISD/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 CH3CH(NH2)COOH (Alanine)

using model chemistry: CISD/6-31G*

States and conformations

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