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	hartrees
Energy at 0K	-323.660509
Energy at 298.15K	-323.669796
Nuclear repulsion energy	240.803406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3415	3397	2.37
2	A	3226	3209	350.75
3	A	3049	3033	21.94
4	A	3015	2999	4.48
5	A	3009	2993	29.07
6	A	2965	2949	23.68
7	A	2915	2900	91.81
8	A	1763	1753	376.50
9	A	1481	1473	10.83
10	A	1462	1454	13.66
11	A	1447	1440	15.48
12	A	1432	1425	5.53
13	A	1419	1411	0.93
14	A	1363	1356	339.01
15	A	1303	1296	6.50
16	A	1250	1243	3.25
17	A	1158	1152	21.81
18	A	1129	1123	7.67
19	A	1103	1097	44.50
20	A	1080	1074	36.12
21	A	979	973	29.57
22	A	913	908	11.23
23	A	895	890	57.40
24	A	827	822	24.54
25	A	761	757	59.37
26	A	608	605	3.56
27	A	548	545	6.96
28	A	461	459	8.32
29	A	359	357	3.94
30	A	281	280	8.33
31	A	199	197	2.22
32	A	132	131	2.89
33	A	54	54	5.39

Atom	x (Å)	y (Å)	z (Å)
N1	-1.221	0.225	0.370
C2	-2.537	-0.057	-0.254
C3	-0.151	-0.756	0.062
C4	1.232	-0.060	-0.025
O5	1.150	1.298	-0.095
O6	2.289	-0.672	-0.057
H7	-1.337	0.296	1.387
H8	-0.076	-1.593	0.777
H9	-2.954	-1.048	0.017
H10	-3.252	0.721	0.053
H11	-0.346	-1.197	-0.931
H12	-2.432	-0.011	-1.349
H13	0.168	1.489	-0.028

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4828	1.4838	2.5008	2.6442	3.6479	1.0256	2.1868	2.1783	2.1143	2.1165	2.1161	1.9199
C2	1.4828		2.5055	3.7751	3.9312	4.8683	2.0626	3.0782	1.1083	1.1005	2.5606	1.1012	3.1233
C3	1.4838	2.5055		1.5503	2.4361	2.4443	2.0660	1.1044	2.8181	3.4344	1.1030	2.7834	2.2690
C4	2.5008	3.7751	1.5503		1.3619	1.2219	2.9528	2.1693	4.3005	4.5516	2.1447	3.8961	1.8791
O5	2.6442	3.9312	2.4361	1.3619		2.2752	3.0637	3.2593	4.7282	4.4422	3.0263	4.0153	1.0032
O6	3.6479	4.8683	2.4443	1.2219	2.2752		4.0210	2.6719	5.2565	5.7141	2.8248	4.9391	3.0280
H7	1.0256	2.0626	2.0660	2.9528	3.0637	4.0210		2.3515	2.5087	2.3721	2.9293	2.9628	2.3855
H8	2.1868	3.0782	1.1044	2.1693	3.2593	2.6719	2.3515		3.0257	3.9957	1.7741	3.5461	3.1951
H9	2.1783	1.1083	2.8181	4.3005	4.7282	5.2565	2.5087	3.0257		1.7940	2.7789	1.7922	4.0225
H10	2.1143	1.1005	3.4344	4.5516	4.4422	5.7141	2.3721	3.9957	1.7940		3.6180	1.7810	3.5057
H11	2.1165	2.5606	1.1030	2.1447	3.0263	2.8248	2.9293	1.7741	2.7789	3.6180		2.4361	2.8794
H12	2.1161	1.1012	2.7834	3.8961	4.0153	4.9391	2.9628	3.5461	1.7922	1.7810	2.4361		3.2797
H13	1.9199	3.1233	2.2690	1.8791	1.0032	3.0280	2.3855	3.1951	4.0225	3.5057	2.8794	3.2797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.641	N1	C2	H10	108.963
N1	C2	H12	109.065	N1	C3	C4	111.000
N1	C3	H8	114.529	N1	C3	H11	108.913
C2	N1	C3	115.246	C2	N1	H7	109.263
C3	N1	H7	109.475	C3	C4	O5	113.387
C3	C4	O6	123.261	C4	C3	H8	108.432
C4	C3	H11	106.641	C4	O5	H13	104.192
O5	C4	O6	123.334	H8	C3	H11	106.964
H9	C2	H10	108.625	H9	C2	H12	108.414
H10	C2	H12	107.987

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: BLYP/6-31+G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	-0.490
2	C	-0.317
3	C	-0.232
4	C	0.425
5	O	-0.398
6	O	-0.442
7	H	0.301
8	H	0.170
9	H	0.140
10	H	0.150
11	H	0.171
12	H	0.150
13	H	0.372

	x	y	z	Total
	-5.747	-0.392	0.751	5.809
CHELPG
AIM
ESP

	x	y	z
x	10.294	-0.347	0.017
y	-0.347	8.309	-0.007
z	0.017	-0.007	6.259

<r²>	205.376
(<r²>)^1/2	14.331

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)