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	hartrees
Energy at 0K	-322.851683
Energy at 298.15K	-322.861299
HF Energy	-321.881750
Nuclear repulsion energy	243.526808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3536	3361	11.24
2	A	3509	3335	342.56
3	A	3202	3043	17.26
4	A	3158	3002	19.71
5	A	3147	2991	17.04
6	A	3084	2931	17.09
7	A	3055	2903	59.44
8	A	1881	1788	287.29
9	A	1521	1445	11.28
10	A	1500	1426	39.48
11	A	1490	1416	14.94
12	A	1477	1404	84.26
13	A	1463	1391	156.17
14	A	1451	1379	131.42
15	A	1348	1281	9.25
16	A	1295	1231	5.37
17	A	1257	1194	15.95
18	A	1201	1142	32.99
19	A	1164	1107	16.15
20	A	1143	1086	12.38
21	A	1013	963	15.90
22	A	1000	950	20.46
23	A	924	878	50.90
24	A	898	853	19.97
25	A	801	762	65.08
26	A	659	626	2.98
27	A	587	558	7.54
28	A	478	455	8.89
29	A	385	366	4.29
30	A	286	272	3.35
31	A	213	202	2.51
32	A	139	132	2.21
33	A	88	83	6.23

Atom	x (Å)	y (Å)	z (Å)
N1	1.191	0.276	-0.309
C2	2.533	-0.080	0.154
C3	0.171	-0.710	0.054
C4	-1.221	-0.069	0.023
O5	-1.178	1.273	0.118
O6	-2.248	-0.707	-0.043
H7	1.210	0.354	-1.330
H8	0.156	-1.626	-0.563
H9	2.872	-1.075	-0.192
H10	3.252	0.676	-0.194
H11	0.352	-1.022	1.097
H12	2.544	-0.078	1.255
H13	-0.211	1.464	0.111

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4644	1.4640	2.4592	2.6052	3.5863	1.0235	2.1803	2.1604	2.1029	2.0899	2.0989	1.8848
C2	1.4644		2.4466	3.7569	3.9503	4.8262	2.0349	2.9253	1.1070	1.0999	2.5564	1.1009	3.1488
C3	1.4640	2.4466		1.5332	2.3990	2.4211	2.0309	1.1047	2.7365	3.3872	1.1040	2.7337	2.2081
C4	2.4592	3.7569	1.5332		1.3460	1.2104	2.8146	2.1597	4.2208	4.5402	2.1300	3.9621	1.8388
O5	2.6052	3.9503	2.3990	1.3460		2.2561	2.9404	3.2630	4.6918	4.4809	2.9268	4.1197	0.9863
O6	3.5863	4.8262	2.4211	1.2104	2.2561		3.8393	2.6256	5.1354	5.6732	2.8562	5.0045	2.9815
H7	1.0235	2.0349	2.0309	2.8146	2.9404	3.8393		2.3704	2.4693	2.3583	2.9188	2.9407	2.3088
H8	2.1803	2.9253	1.1047	2.1597	3.2630	2.6256	2.3704		2.7962	3.8758	1.7773	3.3774	3.1844
H9	2.1604	1.1070	2.7365	4.2208	4.6918	5.1354	2.4693	2.7962		1.7921	2.8313	1.7878	4.0056
H10	2.1029	1.0999	3.3872	4.5402	4.4809	5.6732	2.3583	3.8758	1.7921		3.6004	1.7807	3.5643
H11	2.0899	2.5564	1.1040	2.1300	2.9268	2.8562	2.9188	1.7773	2.8313	3.6004		2.3923	2.7333
H12	2.0989	1.1009	2.7337	3.9621	4.1197	5.0045	2.9407	3.3774	1.7878	1.7807	2.3923		3.3579
H13	1.8848	3.1488	2.2081	1.8388	0.9863	2.9815	2.3088	3.1844	4.0056	3.5643	2.7333	3.3579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.590	N1	C2	H10	109.361
N1	C2	H12	108.988	N1	C3	C4	110.252
N1	C3	H8	115.456	N1	C3	H11	108.133
C2	N1	C3	113.333	C2	N1	H7	108.451
C3	N1	H7	108.156	C3	C4	O5	112.697
C3	C4	O6	123.455	C4	C3	H8	108.828
C4	C3	H11	106.606	C4	O5	H13	102.990
O5	C4	O6	123.818	H8	C3	H11	107.163
H9	C2	H10	108.592	H9	C2	H12	108.141
H10	C2	H12	108.022

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP2=FULL/cc-pVDZ

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 CH3NHCH2COOH (Sarcosine)

using model chemistry: MP2=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)