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	hartrees
Energy at 0K	-323.255485
Energy at 298.15K	-323.265072
HF Energy	-321.980102
Nuclear repulsion energy	245.352437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3566	3386	7.83
2	A	3511	3333	321.83
3	A	3182	3021	14.83
4	A	3145	2986	12.51
5	A	3137	2978	12.23
6	A	3097	2940	14.22
7	A	3059	2904	55.74
8	A	1867	1773	309.89
9	A	1546	1467	9.80
10	A	1526	1449	14.58
11	A	1505	1429	15.05
12	A	1484	1409	9.45
13	A	1472	1397	5.61
14	A	1436	1363	368.12
15	A	1358	1290	10.63
16	A	1306	1240	4.07
17	A	1252	1188	15.91
18	A	1204	1143	30.07
19	A	1172	1113	24.20
20	A	1153	1094	10.56
21	A	1016	964	13.43
22	A	1000	949	19.51
23	A	909	863	54.49
24	A	898	853	22.91
25	A	793	753	64.32
26	A	656	623	3.34
27	A	591	561	7.41
28	A	485	460	9.58
29	A	380	361	5.08
30	A	281	267	4.06
31	A	208	198	2.43
32	A	133	126	2.83
33	A	78	74	5.87

Atom	x (Å)	y (Å)	z (Å)
N1	1.192	0.276	-0.314
C2	2.512	-0.084	0.181
C3	0.168	-0.703	0.009
C4	-1.210	-0.070	0.022
O5	-1.176	1.264	0.114
O6	-2.229	-0.707	-0.013
H7	1.233	0.394	-1.317
H8	0.140	-1.572	-0.644
H9	2.852	-1.060	-0.166
H10	3.231	0.665	-0.128
H11	0.348	-1.063	1.018
H12	2.487	-0.098	1.265
H13	-0.218	1.475	0.098

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4551	1.4529	2.4503	2.6010	3.5718	1.0109	2.1518	2.1366	2.0844	2.0692	2.0765	1.8960
C2	1.4551		2.4301	3.7258	3.9269	4.7852	2.0272	2.9187	1.0906	1.0837	2.5182	1.0847	3.1449
C3	1.4529	2.4301		1.5170	2.3845	2.3969	2.0238	1.0875	2.7134	3.3575	1.0870	2.7056	2.2136
C4	2.4503	3.7258	1.5170		1.3375	1.2016	2.8246	2.1270	4.1859	4.5047	2.1000	3.9010	1.8377
O5	2.6010	3.9269	2.3845	1.3375		2.2382	2.9337	3.2170	4.6590	4.4542	2.9253	4.0739	0.9808
O6	3.5718	4.7852	2.3969	1.2016	2.2382		3.8595	2.5997	5.0955	5.6309	2.7985	4.9235	2.9691
H7	1.0109	2.0272	2.0238	2.8246	2.9337	3.8595		2.3478	2.4624	2.3412	2.8918	2.9129	2.2970
H8	2.1518	2.9187	1.0875	2.1270	3.2170	2.5997	2.3478		2.8009	3.8502	1.7511	3.3651	3.1563
H9	2.1366	1.0906	2.7134	4.1859	4.6590	5.0955	2.4624	2.8009		1.7669	2.7700	1.7628	3.9905
H10	2.0844	1.0837	3.3575	4.5047	4.4542	5.6309	2.3412	3.8502	1.7669		3.5516	1.7547	3.5504
H11	2.0692	2.5182	1.0870	2.1000	2.9253	2.7985	2.8918	1.7511	2.7700	3.5516		2.3592	2.7588
H12	2.0765	1.0847	2.7056	3.9010	4.0739	4.9235	2.9129	3.3651	1.7628	1.7547	2.3592		3.3399
H13	1.8960	3.1449	2.2136	1.8377	0.9808	2.9691	2.2970	3.1563	3.9905	3.5504	2.7588	3.3399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.364	N1	C2	H10	109.512
N1	C2	H12	108.812	N1	C3	C4	111.164
N1	C3	H8	115.026	N1	C3	H11	108.250
C2	N1	C3	113.370	C2	N1	H7	109.256
C3	N1	H7	109.132	C3	C4	O5	113.150
C3	C4	O6	123.268	C4	C3	H8	108.378
C4	C3	H11	106.323	C4	O5	H13	103.808
O5	C4	O6	123.556	H8	C3	H11	107.281
H9	C2	H10	108.714	H9	C2	H12	108.267
H10	C2	H12	108.035

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP2=FULL/cc-pVTZ

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-pVTZ

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)