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	hartrees
Energy at 0K	-322.836950
Energy at 298.15K	-322.846558
HF Energy	-321.881463
Nuclear repulsion energy	243.338921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3532	3364	13.02
2	A	3507	3340	339.23
3	A	3196	3044	17.54
4	A	3152	3002	19.81
5	A	3141	2992	17.32
6	A	3078	2932	17.21
7	A	3049	2904	59.51
8	A	1878	1789	286.63
9	A	1518	1446	11.13
10	A	1498	1427	40.42
11	A	1488	1417	14.80
12	A	1475	1405	88.53
13	A	1461	1392	155.56
14	A	1449	1380	126.01
15	A	1346	1282	9.21
16	A	1293	1232	5.39
17	A	1255	1195	16.09
18	A	1199	1142	32.83
19	A	1162	1107	16.56
20	A	1141	1087	12.50
21	A	1012	964	16.44
22	A	998	950	19.90
23	A	923	879	51.04
24	A	896	854	19.87
25	A	800	762	64.63
26	A	657	626	2.99
27	A	586	558	7.57
28	A	477	455	8.83
29	A	384	366	4.24
30	A	286	272	3.38
31	A	212	202	2.52
32	A	139	132	2.22
33	A	87	83	6.22

Atom	x (Å)	y (Å)	z (Å)
N1	1.192	0.277	-0.311
C2	2.535	-0.080	0.155
C3	0.172	-0.710	0.053
C4	-1.222	-0.069	0.023
O5	-1.179	1.274	0.118
O6	-2.249	-0.707	-0.043
H7	1.213	0.352	-1.332
H8	0.156	-1.627	-0.565
H9	2.874	-1.077	-0.190
H10	3.255	0.676	-0.194
H11	0.353	-1.023	1.097
H12	2.544	-0.077	1.257
H13	-0.211	1.465	0.111

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4658	1.4654	2.4615	2.6075	3.5891	1.0243	2.1823	2.1623	2.1045	2.0918	2.1006	1.8866
C2	1.4658		2.4482	3.7597	3.9533	4.8294	2.0363	2.9278	1.1081	1.1009	2.5571	1.1019	3.1514
C3	1.4654	2.4482		1.5347	2.4011	2.4229	2.0324	1.1057	2.7378	3.3896	1.1050	2.7352	2.2100
C4	2.4615	3.7597	1.5347		1.3469	1.2109	2.8182	2.1618	4.2237	4.5439	2.1322	3.9639	1.8399
O5	2.6075	3.9533	2.4011	1.3469		2.2574	2.9451	3.2658	4.6953	4.4848	2.9295	4.1214	0.9867
O6	3.5891	4.8294	2.4229	1.2109	2.2574		3.8431	2.6277	5.1386	5.6774	2.8586	5.0068	2.9830
H7	1.0243	2.0363	2.0324	2.8182	2.9451	3.8431		2.3712	2.4706	2.3600	2.9208	2.9428	2.3130
H8	2.1823	2.9278	1.1057	2.1618	3.2658	2.6277	2.3712		2.7981	3.8789	1.7792	3.3804	3.1870
H9	2.1623	1.1081	2.7378	4.2237	4.6953	5.1386	2.4706	2.7981		1.7939	2.8311	1.7897	4.0088
H10	2.1045	1.1009	3.3896	4.5439	4.4848	5.6774	2.3600	3.8789	1.7939		3.6023	1.7827	3.5677
H11	2.0918	2.5571	1.1050	2.1322	2.9295	2.8586	2.9208	1.7792	2.8311	3.6023		2.3925	2.7357
H12	2.1006	1.1019	2.7352	3.9639	4.1214	5.0068	2.9428	3.3804	1.7897	1.7827	2.3925		3.3594
H13	1.8866	3.1514	2.2100	1.8399	0.9867	2.9830	2.3130	3.1870	4.0088	3.5677	2.7357	3.3594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.579	N1	C2	H10	109.336
N1	C2	H12	108.967	N1	C3	C4	110.242
N1	C3	H8	115.449	N1	C3	H11	108.121
C2	N1	C3	113.279	C2	N1	H7	108.421
C3	N1	H7	108.132	C3	C4	O5	112.706
C3	C4	O6	123.450	C4	C3	H8	108.829
C4	C3	H11	106.617	C4	O5	H13	102.985
O5	C4	O6	123.815	H8	C3	H11	107.181
H9	C2	H10	108.607	H9	C2	H12	108.161
H10	C2	H12	108.047

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP2/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/cc-pVDZ

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)