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	hartrees
Energy at 0K	-322.811102
Energy at 298.15K	-322.820850
Nuclear repulsion energy	251.935226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3872	3872	227.72
2	A	3767	3767	11.36
3	A	3677	3677	5.90
4	A	3266	3266	9.37
5	A	3226	3226	31.89
6	A	3171	3171	12.36
7	A	3154	3154	16.03
8	A	1984	1984	328.59
9	A	1736	1736	39.52
10	A	1574	1574	21.48
11	A	1565	1565	2.43
12	A	1514	1514	404.78
13	A	1495	1495	3.33
14	A	1472	1472	42.50
15	A	1403	1403	34.76
16	A	1313	1313	7.89
17	A	1288	1288	11.32
18	A	1227	1227	9.24
19	A	1164	1164	55.83
20	A	1072	1072	0.46
21	A	995	995	35.80
22	A	946	946	99.30
23	A	865	865	6.06
24	A	831	831	106.68
25	A	785	785	16.92
26	A	588	588	10.10
27	A	563	563	1.43
28	A	428	428	6.28
29	A	377	377	12.34
30	A	307	307	13.55
31	A	295	295	14.75
32	A	251	251	1.16
33	A	72	72	1.24

Atom	x (Å)	y (Å)	z (Å)
N1	1.052	1.357	-0.063
C2	1.477	-1.121	-0.171
C3	0.637	0.025	0.370
C4	-0.846	-0.176	0.049
O5	-1.523	0.952	-0.118
O6	-1.354	-1.249	-0.005
H7	1.372	1.336	-1.016
H8	1.809	1.703	0.498
H9	1.102	-2.071	0.190
H10	1.439	-1.138	-1.258
H11	0.681	0.017	1.459
H12	2.513	-1.005	0.137
H13	-0.876	1.660	-0.078

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		2.5169	1.4607	2.4427	2.6074	3.5472	1.0062	1.0034	3.4381	2.7944	2.0616	2.7847	1.9521
C2	2.5169		1.5207	2.5183	3.6471	2.8387	2.6006	2.9210	1.0835	1.0882	2.1411	1.0869	3.6445
C3	1.4607	1.5207		1.5312	2.4007	2.3934	2.0448	2.0501	2.1548	2.1563	1.0894	2.1528	2.2725
C4	2.4427	2.5183	1.5312		1.3255	1.1882	2.8885	3.2833	2.7217	2.8037	2.0872	3.4615	1.8404
O5	2.6074	3.6471	2.4007	1.3255		2.2099	3.0557	3.4704	4.0152	3.8005	2.8668	4.4927	0.9598
O6	3.5472	2.8387	2.3934	1.1882	2.2099		3.8902	4.3551	2.5968	3.0629	2.8080	3.8772	2.9486
H7	1.0062	2.6006	2.0448	2.8885	3.0557	3.8902		1.6185	3.6246	2.4873	2.8888	2.8481	2.4579
H8	1.0034	2.9210	2.0501	3.2833	3.4704	4.3551	1.6185		3.8520	3.3610	2.2445	2.8211	2.7465
H9	3.4381	1.0835	2.1548	2.7217	4.0152	2.5968	3.6246	3.8520		1.7554	2.4789	1.7698	4.2315
H10	2.7944	1.0882	2.1563	2.8037	3.8005	3.0629	2.4873	3.3610	1.7554		3.0482	1.7659	3.8191
H11	2.0616	2.1411	1.0894	2.0872	2.8668	2.8080	2.8888	2.2445	2.4789	3.0482		2.4794	2.7365
H12	2.7847	1.0869	2.1528	3.4615	4.4927	3.8772	2.8481	2.8211	1.7698	1.7659	2.4794		4.3170
H13	1.9521	3.6445	2.2725	1.8404	0.9598	2.9486	2.4579	2.7465	4.2315	3.8191	2.7365	4.3170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C2	115.152	N1	C3	C4	109.435
N1	C3	H11	106.983	C2	C3	C4	111.206
C2	C3	H11	109.107	C3	N1	H7	110.613
C3	N1	H8	111.251	C3	C2	H9	110.543
C3	C2	H10	110.385	C3	C2	H12	110.187
C3	C4	O5	114.165	C3	C4	O6	122.814
C4	C3	H11	104.314	C4	O5	H13	106.170
O5	C4	O6	122.986	H7	N1	H8	107.297
H9	C2	H10	107.853	H9	C2	H12	109.254
H10	C2	H12	108.559

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

using model chemistry: CISD/6-311G**

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/6-311G**

States and conformations

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