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	hartrees
Energy at 0K	-323.763663
Energy at 298.15K	-323.773113
Nuclear repulsion energy	243.096142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3532	3405	4.71
2	A	3458	3334	328.87
3	A	3129	3017	21.26
4	A	3095	2984	4.27
5	A	3088	2977	28.77
6	A	3046	2937	20.12
7	A	2997	2890	79.61
8	A	1850	1784	404.40
9	A	1521	1467	14.11
10	A	1502	1448	13.96
11	A	1492	1439	17.40
12	A	1477	1424	6.05
13	A	1460	1408	0.53
14	A	1410	1359	395.85
15	A	1350	1302	10.20
16	A	1291	1244	3.89
17	A	1219	1176	17.76
18	A	1176	1134	16.32
19	A	1149	1108	38.59
20	A	1133	1093	19.68
21	A	1007	971	23.93
22	A	962	927	19.10
23	A	903	870	66.41
24	A	873	841	20.17
25	A	778	750	71.60
26	A	635	612	3.70
27	A	573	553	9.44
28	A	479	462	9.99
29	A	371	357	4.02
30	A	287	277	7.54
31	A	204	197	2.14
32	A	133	128	3.17
33	A	59	57	5.91

Atom	x (Å)	y (Å)	z (Å)
N1	-1.211	0.226	0.364
C2	-2.519	-0.057	-0.241
C3	-0.154	-0.741	0.048
C4	1.220	-0.060	-0.025
O5	1.155	1.280	-0.098
O6	2.261	-0.675	-0.044
H7	-1.313	0.308	1.372
H8	-0.084	-1.585	0.744
H9	-2.926	-1.042	0.033
H10	-3.231	0.713	0.069
H11	-0.343	-1.163	-0.946
H12	-2.428	-0.012	-1.331
H13	0.194	1.498	-0.042

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4677	1.4670	2.4793	2.6316	3.6106	1.0169	2.1676	2.1583	2.0981	2.0973	2.0996	1.9379
C2	1.4677		2.4779	3.7452	3.9121	4.8233	2.0464	3.0390	1.1008	1.0933	2.5401	1.0942	3.1323
C3	1.4670	2.4779		1.5360	2.4126	2.4179	2.0486	1.0972	2.7881	3.4026	1.0961	2.7571	2.2668
C4	2.4793	3.7452	1.5360		1.3436	1.2092	2.9167	2.1494	4.2618	4.5189	2.1239	3.8758	1.8653
O5	2.6316	3.9121	2.4126	1.3436		2.2474	3.0333	3.2337	4.6977	4.4259	2.9890	4.0041	0.9873
O6	3.6106	4.8233	2.4179	1.2092	2.2474		3.9683	2.6356	5.2005	5.6657	2.7988	4.9076	2.9992
H7	1.0169	2.0464	2.0486	2.9167	3.0333	3.9683		2.3432	2.4935	2.3538	2.9118	2.9412	2.3847
H8	2.1676	3.0390	1.0972	2.1494	3.2337	2.6356	2.3432		2.9801	3.9550	1.7616	3.5039	3.1937
H9	2.1583	1.1008	2.7881	4.2618	4.6977	5.2005	2.4935	2.9801		1.7813	2.7647	1.7796	4.0235
H10	2.0981	1.0933	3.4026	4.5189	4.4259	5.6657	2.3538	3.9550	1.7813		3.5896	1.7683	3.5152
H11	2.0973	2.5401	1.0961	2.1239	2.9890	2.7988	2.9118	1.7616	2.7647	3.5896		2.4123	2.8605
H12	2.0996	1.0942	2.7571	3.8758	4.0041	4.9076	2.9412	3.5039	1.7796	1.7683	2.4123		3.2886
H13	1.9379	3.1323	2.2668	1.8653	0.9873	2.9992	2.3847	3.1937	4.0235	3.5152	2.8605	3.2886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.573	N1	C2	H10	109.146
N1	C2	H12	109.211	N1	C3	C4	111.281
N1	C3	H8	114.651	N1	C3	H11	108.962
C2	N1	C3	115.206	C2	N1	H7	109.559
C3	N1	H7	109.804	C3	C4	O5	113.658
C3	C4	O6	123.032	C4	C3	H8	108.279
C4	C3	H11	106.394	C4	O5	H13	105.282
O5	C4	O6	123.290	H8	C3	H11	106.870
H9	C2	H10	108.551	H9	C2	H12	108.334
H10	C2	H12	107.873

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	N	-0.520
2	C	-0.315
3	C	-0.201
4	C	0.448
5	O	-0.435
6	O	-0.469
7	H	0.309
8	H	0.175
9	H	0.141
10	H	0.152
11	H	0.175
12	H	0.151
13	H	0.387

	x	y	z	Total
	-5.787	-0.306	0.721	5.840
CHELPG
AIM
ESP

	x	y	z
x	9.521	-0.403	0.028
y	-0.403	7.761	-0.004
z	0.028	-0.004	5.969

<r²>	201.551
(<r²>)^1/2	14.197

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)