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	hartrees
Energy at 0K	-322.335901
Energy at 298.15K	-322.345299
HF Energy	-321.690821
Nuclear repulsion energy	239.713990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3529	3353	2.23
2	A	3333	3167	227.88
3	A	3174	3016	21.32
4	A	3129	2973	26.02
5	A	3123	2967	11.93
6	A	3064	2911	13.74
7	A	3032	2881	60.93
8	A	1738	1651	209.23
9	A	1587	1508	7.50
10	A	1566	1488	12.31
11	A	1552	1475	10.52
12	A	1536	1460	7.27
13	A	1522	1446	0.88
14	A	1396	1326	4.55
15	A	1360	1292	383.67
16	A	1321	1255	10.19
17	A	1216	1155	13.12
18	A	1197	1138	8.08
19	A	1172	1113	47.73
20	A	1143	1086	27.50
21	A	1035	983	36.59
22	A	955	908	2.50
23	A	901	856	123.09
24	A	849	807	41.25
25	A	766	728	90.31
26	A	618	588	6.34
27	A	554	527	11.11
28	A	472	448	9.23
29	A	379	360	5.45
30	A	294	280	7.85
31	A	202	192	1.26
32	A	128	122	2.05
33	A	42	40	5.87

Atom	x (Å)	y (Å)	z (Å)
N1	-1.218	0.181	0.398
C2	-2.531	-0.046	-0.262
C3	-0.140	-0.782	0.049
C4	1.220	-0.057	-0.026
O5	1.114	1.322	-0.092
O6	2.312	-0.655	-0.060
H7	-1.322	0.271	1.410
H8	-0.045	-1.629	0.746
H9	-2.976	-1.028	-0.029
H10	-3.224	0.741	0.056
H11	-0.350	-1.198	-0.947
H12	-2.397	0.028	-1.348
H13	0.139	1.530	-0.020

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4876	1.4868	2.4857	2.6411	3.6561	1.0211	2.1843	2.1762	2.1111	2.1128	2.1120	1.9580
C2	1.4876		2.5212	3.7587	3.8968	4.8856	2.0877	3.1146	1.1030	1.0958	2.5600	1.0963	3.1098
C3	1.4868	2.5212		1.5428	2.4528	2.4577	2.0873	1.1007	2.8476	3.4397	1.0998	2.7749	2.3296
C4	2.4857	3.7587	1.5428		1.3847	1.2453	2.9376	2.1599	4.3067	4.5161	2.1485	3.8518	1.9206
O5	2.6411	3.8968	2.4528	1.3847		2.3119	3.0481	3.2786	4.7170	4.3790	3.0369	3.9461	0.9995
O6	3.6561	4.8856	2.4577	1.2453	2.3119		4.0276	2.6746	5.3011	5.7107	2.8583	4.9294	3.0821
H7	1.0211	2.0877	2.0873	2.9376	3.0481	4.0276		2.3831	2.5481	2.3819	2.9423	2.9693	2.4006
H8	2.1843	3.1146	1.1007	2.1599	3.2786	2.6746	2.3831		3.0901	4.0247	1.7732	3.5577	3.2554
H9	2.1762	1.1030	2.8476	4.3067	4.7170	5.3011	2.5481	3.0901		1.7886	2.7868	1.7863	4.0305
H10	2.1111	1.0958	3.4397	4.5161	4.3790	5.7107	2.3819	4.0247	1.7886		3.6091	1.7781	3.4550
H11	2.1128	2.5600	1.0998	2.1485	3.0369	2.8583	2.9423	1.7732	2.7868	3.6091		2.4193	2.9224
H12	2.1120	1.0963	2.7749	3.8518	3.9461	4.9294	2.9693	3.5577	1.7863	1.7781	2.4193		3.2319
H13	1.9580	3.1098	2.3296	1.9206	0.9995	3.0821	2.4006	3.2554	4.0305	3.4550	2.9224	3.2319

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.457	N1	C2	H10	108.661
N1	C2	H12	108.702	N1	C3	C4	110.251
N1	C3	H8	114.337	N1	C3	H11	108.615
C2	N1	C3	115.908	C2	N1	H7	111.284
C3	N1	H7	111.317	C3	C4	O5	113.720
C3	C4	O6	123.293	C4	C3	H8	108.423
C4	C3	H11	107.600	C4	O5	H13	106.203
O5	C4	O6	122.960	H8	C3	H11	107.376
H9	C2	H10	108.868	H9	C2	H12	108.628
H10	C2	H12	108.414

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP2=FULL/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=FULL/6-31G

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)