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	hartrees
Energy at 0K	-322.262941
Energy at 298.15K	-322.272512
Nuclear repulsion energy	248.039947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3759	3515	12.07
2	A	3653	3417	130.38
3	A	3644	3408	55.69
4	A	3237	3027	7.28
5	A	3197	2990	29.53
6	A	3132	2929	10.98
7	A	3124	2921	15.55
8	A	1862	1741	238.46
9	A	1792	1676	54.07
10	A	1601	1497	10.41
11	A	1593	1490	3.41
12	A	1520	1421	10.43
13	A	1474	1378	9.07
14	A	1423	1331	246.07
15	A	1389	1299	222.84
16	A	1312	1227	13.47
17	A	1277	1194	8.21
18	A	1218	1139	17.89
19	A	1130	1057	49.05
20	A	1081	1011	0.62
21	A	990	926	44.30
22	A	868	812	171.97
23	A	831	778	7.16
24	A	830	776	219.82
25	A	748	700	12.69
26	A	571	534	8.48
27	A	555	519	2.23
28	A	425	398	3.83
29	A	369	345	9.56
30	A	293	274	11.48
31	A	290	271	16.15
32	A	241	225	0.38
33	A	54	51	0.97

Atom	x (Å)	y (Å)	z (Å)
N1	1.099	1.340	-0.012
C2	1.467	-1.156	-0.232
C3	0.651	-0.009	0.385
C4	-0.847	-0.163	0.060
O5	-1.504	1.003	-0.188
O6	-1.417	-1.247	0.058
H7	1.486	1.386	-0.944
H8	1.699	1.799	0.655
H9	1.056	-2.120	0.068
H10	1.435	-1.100	-1.324
H11	0.721	-0.069	1.477
H12	2.509	-1.091	0.091
H13	-0.860	1.739	-0.179

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		2.5324	1.4760	2.4594	2.6302	3.6090	1.0102	1.0073	3.4607	2.7901	2.0841	2.8123	2.0067
C2	2.5324		1.5369	2.5347	3.6729	2.9004	2.6406	3.0935	1.0896	1.0944	2.1580	1.0924	3.7154
C3	1.4760	1.5369		1.5399	2.4483	2.4318	2.1005	2.1070	2.1724	2.1737	1.0955	2.1704	2.3788
C4	2.4594	2.5347	1.5399		1.3612	1.2245	2.9746	3.2681	2.7295	2.8282	2.1151	3.4817	1.9172
O5	2.6302	3.6729	2.4483	1.3612		2.2646	3.1073	3.4054	4.0462	3.7881	2.9779	4.5349	0.9776
O6	3.6090	2.9004	2.4318	1.2245	2.2646		4.0451	4.3974	2.6233	3.1730	2.8234	3.9294	3.0464
H7	1.0102	2.6406	2.1005	2.9746	3.1073	4.0451		1.6648	3.6746	2.5153	2.9263	2.8737	2.4929
H8	1.0073	3.0935	2.1070	3.2681	3.4054	4.3974	1.6648		4.0138	3.5191	2.2625	3.0539	2.6921
H9	3.4607	1.0896	2.1724	2.7295	4.0462	2.6233	3.6746	4.0138		1.7671	2.5106	1.7799	4.3159
H10	2.7901	1.0944	2.1737	2.8282	3.7881	3.1730	2.5153	3.5191	1.7671		3.0686	1.7763	3.8262
H11	2.0841	2.1580	1.0955	2.1151	2.9779	2.8234	2.9263	2.2625	2.5106	3.0686		2.4824	2.9174
H12	2.8123	1.0924	2.1704	3.4817	4.5349	3.9294	2.8737	3.0539	1.7799	1.7763	2.4824		4.4088
H13	2.0067	3.7154	2.3788	1.9172	0.9776	3.0464	2.4929	2.6921	4.3159	3.8262	2.9174	4.4088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C2	114.372	N1	C3	C4	109.255
N1	C3	H11	107.354	C2	C3	C4	110.938
C2	C3	H11	108.971	C3	N1	H7	114.000
C3	N1	H8	114.781	C3	C2	H9	110.441
C3	C2	H10	110.266	C3	C2	H12	110.117
C3	C4	O5	114.976	C3	C4	O6	122.806
C4	C3	H11	105.514	C4	O5	H13	109.017
O5	C4	O6	122.190	H7	N1	H8	111.214
H9	C2	H10	108.011	H9	C2	H12	109.317
H10	C2	H12	108.639

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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