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	hartrees
Energy at 0K	-323.453217
Energy at 298.15K	-323.462634
Nuclear repulsion energy	242.855882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3438	3407	3.08
2	A	3209	3180	385.85
3	A	3053	3025	20.85
4	A	3015	2988	1.22
5	A	3012	2984	32.08
6	A	2964	2937	22.73
7	A	2918	2892	83.64
8	A	1812	1796	346.31
9	A	1470	1457	12.86
10	A	1448	1435	30.67
11	A	1439	1426	12.79
12	A	1424	1411	35.97
13	A	1408	1395	52.72
14	A	1394	1381	243.62
15	A	1287	1275	3.20
16	A	1243	1232	2.96
17	A	1177	1167	29.42
18	A	1133	1123	26.01
19	A	1113	1103	29.53
20	A	1095	1085	13.13
21	A	983	974	27.68
22	A	939	931	24.74
23	A	915	907	33.57
24	A	848	840	17.21
25	A	766	759	58.52
26	A	626	621	3.04
27	A	555	550	5.89
28	A	464	460	8.02
29	A	372	368	5.10
30	A	286	283	6.11
31	A	203	201	1.82
32	A	140	138	2.22
33	A	69	69	5.43

Atom	x (Å)	y (Å)	z (Å)
N1	1.203	0.229	-0.352
C2	2.521	-0.063	0.223
C3	0.150	-0.746	-0.031
C4	-1.228	-0.058	0.025
O5	-1.131	1.286	0.101
O6	-2.276	-0.665	0.030
H7	1.286	0.313	-1.368
H8	0.086	-1.610	-0.715
H9	2.933	-1.046	-0.079
H10	3.231	0.720	-0.078
H11	0.339	-1.149	0.978
H12	2.448	-0.045	1.321
H13	-0.144	1.443	0.051

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4682	1.4701	2.4767	2.6017	3.6115	1.0230	2.1819	2.1672	2.1050	2.1011	2.1036	1.8570
C2	1.4682		2.4803	3.7550	3.8958	4.8382	2.0493	3.0332	1.1076	1.0996	2.5514	1.1005	3.0663
C3	1.4701	2.4803		1.5418	2.4056	2.4279	2.0489	1.1040	2.7995	3.4123	1.1028	2.7565	2.2101
C4	2.4767	3.7550	1.5418		1.3492	1.2103	2.8982	2.1646	4.2787	4.5282	2.1350	3.8982	1.8520
O5	2.6017	3.8958	2.4056	1.3492		2.2625	2.9916	3.2457	4.6895	4.4029	2.9770	4.0087	1.0013
O6	3.6115	4.8382	2.4279	1.2103	2.2625		3.9490	2.6509	5.2238	5.6793	2.8233	4.9357	2.9980
H7	1.0230	2.0493	2.0489	2.8982	2.9916	3.9490		2.3584	2.4944	2.3692	2.9218	2.9512	2.3102
H8	2.1819	3.0332	1.1040	2.1646	3.2457	2.6509	2.3584		2.9709	3.9654	1.7722	3.4887	3.1563
H9	2.1672	1.1076	2.7995	4.2787	4.6895	5.2238	2.4944	2.9709		1.7913	2.8027	1.7883	3.9601
H10	2.1050	1.0996	3.4123	4.5282	4.4029	5.6793	2.3692	3.9654	1.7913		3.6020	1.7770	3.4541
H11	2.1011	2.5514	1.1028	2.1350	2.9770	2.8233	2.9218	1.7722	2.8027	3.6020		2.4050	2.7953
H12	2.1036	1.1005	2.7565	3.8982	4.0087	4.9357	2.9512	3.4887	1.7883	1.7770	2.4050		3.2471
H13	1.8570	3.0663	2.2101	1.8520	1.0013	2.9980	2.3102	3.1563	3.9601	3.4541	2.7953	3.2471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.843	N1	C2	H10	109.286
N1	C2	H12	109.119	N1	C3	C4	110.610
N1	C3	H8	115.176	N1	C3	H11	108.653
C2	N1	C3	115.155	C2	N1	H7	109.401
C3	N1	H7	109.218	C3	C4	O5	112.463
C3	C4	O6	123.365	C4	C3	H8	108.665
C4	C3	H11	106.481	C4	O5	H13	102.981
O5	C4	O6	124.152	H8	C3	H11	106.844
H9	C2	H10	108.498	H9	C2	H12	108.173
H10	C2	H12	107.747

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: PBEPBE/6-311G**

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	-0.453
2	C	-0.234
3	C	-0.195
4	C	0.285
5	O	-0.263
6	O	-0.302
7	H	0.224
8	H	0.151
9	H	0.118
10	H	0.134
11	H	0.164
12	H	0.139
13	H	0.232

	x	y	z	Total
	5.373	-0.337	-0.662	5.424
CHELPG
AIM
ESP

	x	y	z
x	9.163	0.369	0.015
y	0.369	7.225	0.032
z	0.015	0.032	5.572

<r²>	194.266
(<r²>)^1/2	13.938

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)