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	hartrees
Energy at 0K	-322.365344
Energy at 298.15K	-322.374780
HF Energy	-321.749083
Nuclear repulsion energy	241.637526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3556	3424	3.09
2	A	3331	3209	217.09
3	A	3155	3038	25.32
4	A	3116	3001	12.95
5	A	3111	2996	34.20
6	A	3035	2923	23.59
7	A	3004	2893	59.49
8	A	1690	1627	233.55
9	A	1553	1496	9.54
10	A	1533	1477	15.29
11	A	1511	1455	11.07
12	A	1506	1450	7.46
13	A	1492	1437	4.83
14	A	1375	1325	7.93
15	A	1331	1282	351.11
16	A	1293	1246	8.35
17	A	1188	1144	7.93
18	A	1174	1131	6.10
19	A	1146	1104	67.87
20	A	1110	1069	24.39
21	A	1015	978	13.15
22	A	923	889	54.37
23	A	888	856	154.46
24	A	823	793	69.04
25	A	756	728	15.23
26	A	613	591	15.10
27	A	534	515	9.57
28	A	496	478	3.69
29	A	370	357	2.36
30	A	325	313	21.80
31	A	193	186	0.65
32	A	135	130	0.73
33	A	81	78	5.57

Atom	x (Å)	y (Å)	z (Å)
N1	1.311	-0.047	-0.573
C2	2.109	0.123	0.690
C3	0.099	-0.915	-0.414
C4	-1.116	-0.033	0.016
O5	-0.902	1.329	-0.221
O6	-2.179	-0.484	0.498
H7	1.899	-0.342	-1.357
H8	-0.151	-1.377	-1.385
H9	2.499	-0.837	1.084
H10	2.952	0.803	0.488
H11	0.227	-1.722	0.333
H12	1.464	0.584	1.457
H13	0.031	1.412	-0.583

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.5039	1.4989	2.4977	2.6302	3.6772	1.0232	2.1361	2.1861	2.1311	2.1909	2.1315	1.9418
C2	1.5039		2.5168	3.2979	3.3690	4.3350	2.1101	3.4149	1.1084	1.1016	2.6594	1.1023	2.7570
C3	1.4989	2.5168		1.5619	2.4645	2.4916	2.1115	1.1041	2.8296	3.4498	1.1068	2.7583	2.3344
C4	2.4977	3.2979	1.5619		1.3984	1.2517	3.3276	2.1682	3.8538	4.1792	2.1808	3.0185	1.9398
O5	2.6302	3.3690	2.4645	1.3984		2.3312	3.4541	3.0396	4.2379	3.9538	3.2995	2.9949	1.0046
O6	3.6772	4.3350	2.4916	1.2517	2.3312		4.4828	2.9080	4.7278	5.2899	2.7106	3.9160	3.1066
H7	1.0232	2.1101	2.1115	3.3276	3.4541	4.4828		2.2965	2.5617	2.4134	2.7491	2.9941	2.6772
H8	2.1361	3.4149	1.1041	2.1682	3.0396	2.9080	2.2965		3.6614	4.2291	1.7925	3.8115	2.9077
H9	2.1861	1.1084	2.8296	3.8538	4.2379	4.7278	2.5617	3.6614		1.8024	2.5511	1.7968	3.7321
H10	2.1311	1.1016	3.4498	4.1792	3.9538	5.2899	2.4134	4.2291	1.8024		3.7179	1.7884	3.1702
H11	2.1909	2.6594	1.1068	2.1808	3.2995	2.7106	2.7491	1.7925	2.5511	3.7179		2.8477	3.2711
H12	2.1315	1.1023	2.7583	3.0185	2.9949	3.9160	2.9941	3.8115	1.7968	1.7884	2.8477		2.6271
H13	1.9418	2.7570	2.3344	1.9398	1.0046	3.1066	2.6772	2.9077	3.7321	3.1702	3.2711	2.6271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	112.738	N1	C2	H10	108.768
N1	C2	H12	108.756	N1	C3	C4	109.364
N1	C3	H8	109.364	N1	C3	H11	113.601
C2	N1	C3	113.892	C2	N1	H7	111.817
C3	N1	H7	112.315	C3	C4	O5	112.603
C3	C4	O6	124.273	C4	C3	H8	107.599
C4	C3	H11	108.397	C4	O5	H13	106.505
O5	C4	O6	123.111	H8	C3	H11	108.341
H9	C2	H10	109.282	H9	C2	H12	108.738
H10	C2	H12	108.472

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)