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	hartrees
Energy at 0K	-320.686768
Energy at 298.15K	-320.696305
HF Energy	-320.048549
Nuclear repulsion energy	240.396873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3442	3263	1.76
2	A	3177	3012	18.80
3	A	3148	2984	9.37
4	A	3139	2976	26.19
5	A	3104	2943	272.53
6	A	3094	2933	47.54
7	A	3055	2897	71.91
8	A	1774	1681	235.39
9	A	1616	1532	5.77
10	A	1596	1513	16.99
11	A	1567	1485	13.10
12	A	1527	1448	5.95
13	A	1518	1439	4.71
14	A	1434	1360	379.02
15	A	1379	1307	5.17
16	A	1321	1252	2.43
17	A	1209	1146	19.67
18	A	1188	1127	6.83
19	A	1150	1090	62.59
20	A	1108	1050	28.27
21	A	1055	1000	72.12
22	A	978	927	44.13
23	A	932	884	21.54
24	A	832	789	34.12
25	A	795	753	66.30
26	A	634	601	5.47
27	A	570	541	6.60
28	A	460	437	8.72
29	A	400	379	6.98
30	A	300	284	5.77
31	A	210	200	1.12
32	A	143	135	1.44
33	A	69	65	5.62

Atom	x (Å)	y (Å)	z (Å)
N1	-1.192	0.217	0.365
C2	-2.543	-0.066	-0.220
C3	-0.138	-0.790	0.011
C4	1.237	-0.056	-0.026
O5	1.079	1.307	-0.107
O6	2.328	-0.634	-0.022
H7	-1.260	0.300	1.386
H8	-0.072	-1.649	0.688
H9	-2.962	-1.032	0.094
H10	-3.226	0.733	0.079
H11	-0.347	-1.159	-0.999
H12	-2.451	-0.061	-1.309
H13	0.069	1.434	-0.048

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4994	1.5000	2.4753	2.5633	3.6424	1.0261	2.1997	2.1830	2.1175	2.1143	2.1136	1.8005
C2	1.4994		2.5223	3.7848	3.8753	4.9083	2.0882	3.0714	1.0988	1.0932	2.5739	1.0929	3.0171
C3	1.5000	2.5223		1.5585	2.4272	2.4712	2.0826	1.0955	2.8356	3.4437	1.0959	2.7619	2.2337
C4	2.4753	3.7848	1.5585		1.3748	1.2351	2.8903	2.1816	4.3122	4.5328	2.1614	3.9050	1.8930
O5	2.5633	3.8753	2.4272	1.3748		2.3101	2.9520	3.2704	4.6735	4.3466	2.9852	3.9722	1.0196
O6	3.6424	4.9083	2.4712	1.2351	2.3101		3.9663	2.7011	5.3063	5.7206	2.8958	4.9830	3.0627
H7	1.0261	2.0882	2.0826	2.8903	2.9520	3.9663		2.3870	2.5182	2.3997	2.9415	2.9688	2.2596
H8	2.1997	3.0714	1.0955	2.1816	3.2704	2.7011	2.3870		3.0137	3.9987	1.7777	3.4887	3.1721
H9	2.1830	1.0988	2.8356	4.3122	4.6735	5.3063	2.5182	3.0137		1.7854	2.8371	1.7816	3.9099
H10	2.1175	1.0932	3.4437	4.5328	4.3466	5.7206	2.3997	3.9987	1.7854		3.6101	1.7770	3.3706
H11	2.1143	2.5739	1.0959	2.1614	2.9852	2.8958	2.9415	1.7777	2.8371	3.6101		2.3943	2.7931
H12	2.1136	1.0929	2.7619	3.9050	3.9722	4.9830	2.9688	3.4887	1.7816	1.7770	2.3943		3.1900
H13	1.8005	3.0171	2.2337	1.8930	1.0196	3.0627	2.2596	3.1721	3.9099	3.3706	2.7931	3.1900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.431	N1	C2	H10	108.505
N1	C2	H12	108.217	N1	C3	C4	108.043
N1	C3	H8	114.992	N1	C3	H11	108.057
C2	N1	C3	114.479	C2	N1	H7	110.137
C3	N1	H7	109.631	C3	C4	O5	111.528
C3	C4	O6	123.992	C4	C3	H8	109.335
C4	C3	H11	107.758	C4	O5	H13	103.484
O5	C4	O6	124.448	H8	C3	H11	108.428
H9	C2	H10	109.081	H9	C2	H12	108.762
H10	C2	H12	108.751

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)