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	hartrees
Energy at 0K	-323.528378
Energy at 298.15K	-323.537777
Nuclear repulsion energy	242.701387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3431	3405	0.20
2	A	3071	3048	22.63
3	A	3029	3006	9.95
4	A	3026	3003	24.56
5	A	2971	2948	38.36
6	A	2940	2918	87.58
7	A	2919	2896	228.96
8	A	1716	1703	273.82
9	A	1520	1508	9.44
10	A	1501	1489	16.32
11	A	1475	1464	12.58
12	A	1458	1447	3.01
13	A	1456	1445	1.71
14	A	1352	1342	293.91
15	A	1321	1311	27.42
16	A	1264	1254	5.76
17	A	1150	1142	5.86
18	A	1143	1135	7.00
19	A	1105	1096	67.70
20	A	1075	1067	20.76
21	A	987	979	33.52
22	A	942	935	82.84
23	A	884	877	13.86
24	A	811	805	39.58
25	A	714	708	38.61
26	A	612	607	14.59
27	A	524	520	5.75
28	A	489	485	2.15
29	A	364	361	3.08
30	A	324	321	29.64
31	A	207	205	1.28
32	A	135	134	0.46
33	A	81	80	5.29

Atom	x (Å)	y (Å)	z (Å)
N1	-1.289	-0.056	0.559
C2	-2.149	0.115	-0.647
C3	-0.082	-0.911	0.371
C4	1.129	-0.021	-0.024
O5	0.885	1.322	0.203
O6	2.201	-0.465	-0.465
H7	-1.834	-0.318	1.387
H8	0.164	-1.414	1.322
H9	-2.541	-0.844	-1.043
H10	-2.997	0.770	-0.397
H11	-0.212	-1.695	-0.397
H12	-1.560	0.602	-1.440
H13	-0.080	1.339	0.549

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4914	1.4914	2.4879	2.5984	3.6604	1.0247	2.1300	2.1812	2.1244	2.1824	2.1226	1.8458
C2	1.4914		2.5222	3.3399	3.3745	4.3925	2.1029	3.4004	1.1091	1.1005	2.6627	1.1017	2.6852
C3	1.4914	2.5222		1.5538	2.4392	2.4718	2.1104	1.1033	2.8376	3.4515	1.1056	2.7850	2.2574
C4	2.4879	3.3399	1.5538		1.3843	1.2411	3.2953	2.1637	3.8973	4.2179	2.1776	3.1032	1.9089
O5	2.5984	3.3745	2.4392	1.3843		2.3180	3.3885	3.0425	4.2410	3.9665	3.2665	3.0331	1.0257
O6	3.6604	4.3925	2.4718	1.2411	2.3180		4.4422	2.8710	4.7925	5.3432	2.7098	4.0298	3.0807
H7	1.0247	2.1029	2.1104	3.2953	3.3885	4.4422		2.2799	2.5849	2.3910	2.7768	2.9855	2.5538
H8	2.1300	3.4004	1.1033	2.1637	3.0425	2.8710	2.2799		3.6379	4.2089	1.7820	3.8297	2.8701
H9	2.1812	1.1091	2.8376	3.8973	4.2410	4.7925	2.5849	3.6379		1.7979	2.5623	1.7922	3.6550
H10	2.1244	1.1005	3.4515	4.2179	3.9665	5.3432	2.3910	4.2089	1.7979		3.7194	1.7835	3.1183
H11	2.1824	2.6627	1.1056	2.1776	3.2665	2.7098	2.7768	1.7820	2.5623	3.7194		2.8607	3.1817
H12	2.1226	1.1017	2.7850	3.1032	3.0331	4.0298	2.9855	3.8297	1.7922	1.7835	2.8607		2.5870
H13	1.8458	2.6852	2.2574	1.9089	1.0257	3.0807	2.5538	2.8701	3.6550	3.1183	3.1817	2.5870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.202	N1	C2	H10	109.167
N1	C2	H12	108.956	N1	C3	C4	109.556
N1	C3	H8	109.445	N1	C3	H11	113.528
C2	N1	C3	115.473	C2	N1	H7	112.061
C3	N1	H7	112.702	C3	C4	O5	112.110
C3	C4	O6	123.974	C4	C3	H8	107.835
C4	C3	H11	108.761	C4	O5	H13	103.757
O5	C4	O6	123.900	H8	C3	H11	107.549
H9	C2	H10	108.909	H9	C2	H12	108.319
H10	C2	H12	108.167

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	N	-0.565
2	C	-0.241
3	C	-0.190
4	C	0.459
5	O	-0.504
6	O	-0.378
7	H	0.286
8	H	0.168
9	H	0.130
10	H	0.146
11	H	0.157
12	H	0.158
13	H	0.375

	x	y	z	Total
	-5.794	-1.422	1.552	6.165
CHELPG
AIM
ESP

	x	y	z
x	8.046	-0.559	-0.464
y	-0.559	6.468	0.222
z	-0.464	0.222	5.359

<r²>	207.170
(<r²>)^1/2	14.393

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)