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	hartrees
Energy at 0K	-322.787487
Energy at 298.15K	-322.797062
HF Energy	-321.850433
Nuclear repulsion energy	243.341764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3599	3407	216.59
2	A	3522	3334	2.79
3	A	3176	3006	20.88
4	A	3136	2968	24.37
5	A	3124	2957	13.81
6	A	3076	2911	15.68
7	A	3047	2884	50.39
8	A	1944	1840	307.99
9	A	1565	1482	11.01
10	A	1547	1464	16.26
11	A	1545	1463	19.54
12	A	1529	1448	11.52
13	A	1507	1426	8.79
14	A	1477	1398	430.75
15	A	1396	1321	14.03
16	A	1327	1256	4.84
17	A	1289	1220	7.80
18	A	1220	1155	19.82
19	A	1190	1126	25.42
20	A	1166	1103	14.04
21	A	1036	981	24.64
22	A	1013	959	9.30
23	A	913	864	71.54
24	A	908	860	25.27
25	A	773	731	93.14
26	A	666	630	4.12
27	A	592	560	13.59
28	A	482	457	10.69
29	A	386	365	2.92
30	A	282	267	2.79
31	A	212	200	2.34
32	A	132	125	2.74
33	A	85	80	7.49

Atom	x (Å)	y (Å)	z (Å)
N1	1.199	0.282	-0.309
C2	2.545	-0.076	0.150
C3	0.178	-0.698	0.066
C4	-1.217	-0.075	0.022
O5	-1.220	1.266	0.118
O6	-2.227	-0.730	-0.052
H7	1.211	0.367	-1.326
H8	0.167	-1.614	-0.541
H9	2.875	-1.069	-0.192
H10	3.255	0.674	-0.212
H11	0.356	-1.002	1.107
H12	2.563	-0.063	1.245
H13	-0.275	1.536	0.134

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4663	1.4641	2.4649	2.6464	3.5816	1.0204	2.1712	2.1562	2.0958	2.0887	2.0961	1.9852
C2	1.4663		2.4490	3.7645	3.9974	4.8211	2.0377	2.9153	1.1013	1.0945	2.5624	1.0953	3.2479
C3	1.4641	2.4490		1.5286	2.4117	2.4083	2.0348	1.0992	2.7351	3.3811	1.0985	2.7352	2.2802
C4	2.4649	3.7645	1.5286		1.3449	1.2058	2.8123	2.1453	4.2171	4.5411	2.1240	3.9734	1.8696
O5	2.6464	3.9974	2.4117	1.3449		2.2422	2.9668	3.2643	4.7249	4.5265	2.9340	4.1655	0.9831
O6	3.5816	4.8211	2.4083	1.2058	2.2422		3.8272	2.5987	5.1158	5.6618	2.8445	5.0075	2.9964
H7	1.0204	2.0377	2.0348	2.8123	2.9668	3.8272		2.3735	2.4736	2.3482	2.9195	2.9360	2.3883
H8	2.1712	2.9153	1.0992	2.1453	3.2643	2.5987	2.3735		2.7846	3.8580	1.7679	3.3670	3.2517
H9	2.1562	1.1013	2.7351	4.2171	4.7249	5.1158	2.4736	2.7846		1.7847	2.8353	1.7817	4.1007
H10	2.0958	1.0945	3.3811	4.5411	4.5265	5.6618	2.3482	3.8580	1.7847		3.5993	1.7731	3.6502
H11	2.0887	2.5624	1.0985	2.1240	2.9340	2.8445	2.9195	1.7679	2.8353	3.5993		2.4026	2.7899
H12	2.0961	1.0953	2.7352	3.9734	4.1655	5.0075	2.9360	3.3670	1.7817	1.7731	2.4026		3.4414
H13	1.9852	3.2479	2.2802	1.8696	0.9831	2.9964	2.3883	3.2517	4.1007	3.6502	2.7899	3.4414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.469	N1	C2	H10	108.988
N1	C2	H12	108.967	N1	C3	C4	110.880
N1	C3	H8	115.038	N1	C3	H11	108.349
C2	N1	C3	113.385	C2	N1	H7	108.736
C3	N1	H7	108.653	C3	C4	O5	113.975
C3	C4	O6	123.027	C4	C3	H8	108.335
C4	C3	H11	106.752	C4	O5	H13	105.812
O5	C4	O6	122.964	H8	C3	H11	107.110
H9	C2	H10	108.734	H9	C2	H12	108.413
H10	C2	H12	108.141

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: CCD/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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All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)