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	hartrees
Energy at 0K	-321.838759
Energy at 298.15K	-321.848123
Nuclear repulsion energy	239.757447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3299	3281	0.22
2	A	3058	3041	19.15
3	A	3043	3026	9.11
4	A	3023	3006	22.74
5	A	2996	2980	12.84
6	A	2939	2923	49.96
7	A	2525	2511	412.14
8	A	1731	1722	371.64
9	A	1542	1534	8.01
10	A	1524	1516	33.72
11	A	1490	1481	102.34
12	A	1462	1454	62.28
13	A	1449	1441	2.21
14	A	1429	1421	206.87
15	A	1298	1291	3.78
16	A	1251	1245	0.82
17	A	1140	1134	26.69
18	A	1126	1120	21.03
19	A	1107	1101	39.03
20	A	1063	1057	53.69
21	A	1042	1037	51.36
22	A	952	946	21.21
23	A	879	874	7.58
24	A	787	782	26.82
25	A	753	749	43.84
26	A	608	605	8.65
27	A	539	536	3.64
28	A	446	444	6.14
29	A	399	397	14.58
30	A	310	308	9.10
31	A	200	199	0.94
32	A	144	144	1.10
33	A	45	45	4.54

Atom	x (Å)	y (Å)	z (Å)
N1	-1.197	0.177	0.404
C2	-2.514	-0.053	-0.292
C3	-0.112	-0.829	0.090
C4	1.247	-0.037	-0.030
O5	1.009	1.316	-0.078
O6	2.355	-0.579	-0.099
H7	-1.340	0.234	1.429
H8	-0.010	-1.635	0.833
H9	-2.984	-1.021	-0.036
H10	-3.200	0.763	-0.020
H11	-0.327	-1.281	-0.891
H12	-2.340	-0.018	-1.378
H13	-0.053	1.339	0.041

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.5066	1.5125	2.4918	2.5294	3.6668	1.0360	2.2083	2.1953	2.1296	2.1359	2.1259	1.6711
C2	1.5066		2.5527	3.7698	3.7852	4.9011	2.1023	3.1681	1.1066	1.1007	2.5790	1.1002	2.8468
C3	1.5125	2.5527		1.5771	2.4260	2.4869	2.1043	1.1014	2.8808	3.4763	1.1019	2.7888	2.1690
C4	2.4918	3.7698	1.5771		1.3754	1.2355	2.9822	2.2088	4.3435	4.5188	2.1832	3.8323	1.8943
O5	2.5294	3.7852	2.4260	1.3754		2.3253	2.9934	3.2528	4.6265	4.2456	3.0320	3.8322	1.0683
O6	3.6668	4.9011	2.4869	1.2355	2.3253		4.0805	2.7533	5.3574	5.7160	2.8832	4.8987	3.0817
H7	1.0360	2.1023	2.1043	2.9822	2.9934	4.0805		2.3695	2.5336	2.4163	2.9502	2.9899	2.1921
H8	2.2083	3.1681	1.1014	2.2088	3.2528	2.7533	2.3695		3.1578	4.0812	1.7887	3.5962	3.0781
H9	2.1953	1.1066	2.8808	4.3435	4.6265	5.3574	2.5336	3.1578		1.7978	2.8033	1.7950	3.7639
H10	2.1296	1.1007	3.4763	4.5188	4.2456	5.7160	2.4163	4.0812	1.7978		3.6329	1.7874	3.2004
H11	2.1359	2.5790	1.1019	2.1832	3.0320	2.8832	2.9502	1.7887	2.8033	3.6329		2.4263	2.7947
H12	2.1259	1.1002	2.7888	3.8323	3.8322	4.8987	2.9899	3.5962	1.7950	1.7874	2.4263		3.0146
H13	1.6711	2.8468	2.1690	1.8943	1.0683	3.0817	2.1921	3.0781	3.7639	3.2004	2.7947	3.0146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.411	N1	C2	H10	108.526
N1	C2	H12	108.269	N1	C3	C4	107.493
N1	C3	H8	114.388	N1	C3	H11	108.547
C2	N1	C3	115.454	C2	N1	H7	110.168
C3	N1	H7	109.909	C3	C4	O5	110.318
C3	C4	O6	123.855	C4	C3	H8	109.830
C4	C3	H11	107.844	C4	O5	H13	100.894
O5	C4	O6	125.808	H8	C3	H11	108.547
H9	C2	H10	109.069	H9	C2	H12	108.860
H10	C2	H12	108.606

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	N	-0.554
2	C	-0.392
3	C	-0.326
4	C	0.577
5	O	-0.517
6	O	-0.450
7	H	0.287
8	H	0.211
9	H	0.182
10	H	0.203
11	H	0.228
12	H	0.209
13	H	0.343

	x	y	z	Total
	-6.002	-1.066	0.880	6.159
CHELPG
AIM
ESP

	x	y	z
x	8.232	-0.513	-0.083
y	-0.513	6.004	0.005
z	-0.083	0.005	4.572

<r²>	204.327
(<r²>)^1/2	14.294

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)