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	hartrees
Energy at 0K	-322.328527
Energy at 298.15K	-322.337923
HF Energy	-321.690752
Nuclear repulsion energy	239.682701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3529	3376	2.22
2	A	3333	3189	227.89
3	A	3173	3036	21.40
4	A	3129	2994	26.06
5	A	3123	2988	11.97
6	A	3064	2931	13.74
7	A	3032	2901	60.99
8	A	1738	1663	209.31
9	A	1587	1519	7.47
10	A	1566	1498	12.26
11	A	1552	1485	10.53
12	A	1536	1470	7.24
13	A	1522	1456	0.89
14	A	1396	1335	4.62
15	A	1360	1301	383.44
16	A	1321	1264	10.02
17	A	1216	1163	13.18
18	A	1197	1146	7.90
19	A	1171	1121	47.91
20	A	1142	1093	27.68
21	A	1035	990	36.71
22	A	955	913	2.51
23	A	900	862	123.15
24	A	849	812	41.32
25	A	766	733	89.82
26	A	618	591	6.29
27	A	554	530	11.13
28	A	472	451	9.18
29	A	379	363	5.41
30	A	294	282	7.89
31	A	202	193	1.25
32	A	128	122	2.05
33	A	42	40	5.85

Atom	x (Å)	y (Å)	z (Å)
N1	-1.218	0.180	0.399
C2	-2.531	-0.046	-0.264
C3	-0.140	-0.783	0.050
C4	1.220	-0.057	-0.026
O5	1.113	1.322	-0.092
O6	2.312	-0.655	-0.061
H7	-1.324	0.269	1.411
H8	-0.044	-1.629	0.748
H9	-2.976	-1.028	-0.032
H10	-3.224	0.741	0.054
H11	-0.350	-1.200	-0.945
H12	-2.395	0.030	-1.349
H13	0.138	1.530	-0.019

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4879	1.4872	2.4863	2.6416	3.6569	1.0212	2.1845	2.1766	2.1114	2.1134	2.1123	1.9580
C2	1.4879		2.5217	3.7586	3.8961	4.8856	2.0880	3.1164	1.1032	1.0959	2.5598	1.0964	3.1090
C3	1.4872	2.5217		1.5431	2.4532	2.4580	2.0877	1.1009	2.8481	3.4403	1.1000	2.7753	2.3298
C4	2.4863	3.7586	1.5431		1.3849	1.2454	2.9399	2.1603	4.3071	4.5163	2.1488	3.8502	1.9207
O5	2.6416	3.8961	2.4532	1.3849		2.3120	3.0506	3.2787	4.7168	4.3785	3.0382	3.9437	0.9995
O6	3.6569	4.8856	2.4580	1.2454	2.3120		4.0302	2.6754	5.3017	5.7110	2.8581	4.9277	3.0821
H7	1.0212	2.0880	2.0877	2.9399	3.0506	4.0302		2.3824	2.5483	2.3822	2.9423	2.9697	2.4023
H8	2.1845	3.1164	1.1009	2.1603	3.2787	2.6754	2.3824		3.0926	4.0260	1.7734	3.5598	3.2550
H9	2.1766	1.1032	2.8481	4.3071	4.7168	5.3017	2.5483	3.0926		1.7889	2.7853	1.7866	4.0300
H10	2.1114	1.0959	3.4403	4.5163	4.3785	5.7110	2.3822	4.0260	1.7889		3.6094	1.7783	3.4544
H11	2.1134	2.5598	1.1000	2.1488	3.0382	2.8581	2.9423	1.7734	2.7853	3.6094		2.4199	2.9238
H12	2.1123	1.0964	2.7753	3.8502	3.9437	4.9277	2.9697	3.5598	1.7866	1.7783	2.4199		3.2299
H13	1.9580	3.1090	2.3298	1.9207	0.9995	3.0821	2.4023	3.2550	4.0300	3.4544	2.9238	3.2299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.455	N1	C2	H10	108.651
N1	C2	H12	108.695	N1	C3	C4	110.259
N1	C3	H8	114.321	N1	C3	H11	108.623
C2	N1	C3	115.903	C2	N1	H7	111.279
C3	N1	H7	111.314	C3	C4	O5	113.720
C3	C4	O6	123.295	C4	C3	H8	108.424
C4	C3	H11	107.601	C4	O5	H13	106.191
O5	C4	O6	122.958	H8	C3	H11	107.374
H9	C2	H10	108.875	H9	C2	H12	108.635
H10	C2	H12	108.420

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP2/6-31G

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 CH3NHCH2COOH (Sarcosine)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)