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	hartrees
Energy at 0K	-320.701577
Energy at 298.15K	-320.711104
HF Energy	-320.050556
Nuclear repulsion energy	240.530954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3417	3322	0.42
2	A	3302	3210	250.82
3	A	3120	3034	19.47
4	A	3094	3009	10.42
5	A	3085	2999	24.97
6	A	3051	2967	10.16
7	A	3008	2924	43.67
8	A	1854	1803	238.08
9	A	1595	1551	5.68
10	A	1576	1532	16.50
11	A	1554	1511	13.14
12	A	1524	1481	5.54
13	A	1513	1471	6.77
14	A	1437	1397	381.50
15	A	1379	1340	2.45
16	A	1317	1280	4.15
17	A	1215	1182	32.85
18	A	1189	1156	4.95
19	A	1161	1129	50.16
20	A	1110	1079	22.13
21	A	1034	1006	50.19
22	A	954	928	17.41
23	A	917	891	73.60
24	A	840	816	23.96
25	A	785	763	85.38
26	A	639	621	4.65
27	A	575	559	9.55
28	A	461	449	10.77
29	A	395	384	5.32
30	A	292	284	4.69
31	A	209	203	1.22
32	A	136	132	1.48
33	A	74	72	5.98

Atom	x (Å)	y (Å)	z (Å)
N1	1.192	0.229	-0.356
C2	2.555	-0.063	0.197
C3	0.147	-0.776	0.021
C4	-1.236	-0.064	0.026
O5	-1.118	1.300	0.115
O6	-2.307	-0.654	-0.006
H7	1.238	0.310	-1.379
H8	0.096	-1.662	-0.627
H9	2.959	-1.038	-0.123
H10	3.240	0.731	-0.125
H11	0.354	-1.110	1.048
H12	2.493	-0.051	1.292
H13	-0.128	1.479	0.073

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4995	1.4984	2.4752	2.5893	3.6257	1.0270	2.2027	2.1865	2.1207	2.1143	2.1182	1.8680
C2	1.4995		2.5175	3.7945	3.9182	4.9017	2.0874	3.0469	1.1028	1.0971	2.5821	1.0970	3.0970
C3	1.4984	2.5175		1.5549	2.4324	2.4568	2.0815	1.0989	2.8280	3.4436	1.0997	2.7647	2.2721
C4	2.4752	3.7945	1.5549		1.3721	1.2232	2.8696	2.1797	4.3088	4.5478	2.1599	3.9374	1.9001
O5	2.5893	3.9182	2.4324	1.3721		2.2906	2.9600	3.2855	4.7054	4.4006	2.9740	4.0303	1.0066
O6	3.6257	4.9017	2.4568	1.2232	2.2906		3.9221	2.6781	5.2810	5.7180	2.8978	5.0083	3.0501
H7	1.0270	2.0874	2.0815	2.8696	2.9600	3.9221		2.4006	2.5211	2.3991	2.9486	2.9731	2.3109
H8	2.2027	3.0469	1.0989	2.1797	3.2855	2.6781	2.4006		2.9735	3.9831	1.7823	3.4676	3.2256
H9	2.1865	1.1028	2.8280	4.3088	4.7054	5.2810	2.5211	2.9735		1.7916	2.8577	1.7878	3.9878
H10	2.1207	1.0971	3.4436	4.5478	4.4006	5.7180	2.3991	3.9831	1.7916		3.6190	1.7825	3.4551
H11	2.1143	2.5821	1.0997	2.1599	2.9740	2.8978	2.9486	1.7823	2.8577	3.6190		2.3995	2.8084
H12	2.1182	1.0970	2.7647	3.9374	4.0303	5.0083	2.9731	3.4676	1.7878	1.7825	2.3995		3.2700
H13	1.8680	3.0970	2.2721	1.9001	1.0066	3.0501	2.3109	3.2256	3.9878	3.4551	2.8084	3.2700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.452	N1	C2	H10	108.524
N1	C2	H12	108.327	N1	C3	C4	108.304
N1	C3	H8	115.134	N1	C3	H11	107.948
C2	N1	C3	114.224	C2	N1	H7	110.010
C3	N1	H7	109.598	C3	C4	O5	112.256
C3	C4	O6	123.901	C4	C3	H8	109.226
C4	C3	H11	107.670	C4	O5	H13	104.991
O5	C4	O6	123.810	H8	C3	H11	108.316
H9	C2	H10	109.055	H9	C2	H12	108.724
H10	C2	H12	108.661

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: CCD/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: CCD/3-21G

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)