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	hartrees
Energy at 0K	-323.368785
Energy at 298.15K	-323.378195
Nuclear repulsion energy	242.589431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3442	3395	2.36
2	A	3173	3129	383.90
3	A	3074	3032	17.95
4	A	3033	2991	1.52
5	A	3030	2988	31.48
6	A	2979	2938	18.60
7	A	2936	2896	80.52
8	A	1830	1805	320.88
9	A	1481	1460	9.44
10	A	1461	1441	37.47
11	A	1445	1426	23.11
12	A	1433	1413	41.34
13	A	1417	1398	67.38
14	A	1405	1386	237.19
15	A	1291	1274	3.78
16	A	1247	1230	2.76
17	A	1195	1179	22.21
18	A	1141	1125	29.60
19	A	1118	1103	26.73
20	A	1100	1085	10.87
21	A	990	976	33.33
22	A	946	933	25.50
23	A	926	913	30.82
24	A	852	841	14.50
25	A	771	760	63.49
26	A	625	616	3.40
27	A	551	543	5.74
28	A	462	455	7.92
29	A	374	369	5.47
30	A	288	284	6.25
31	A	204	201	1.97
32	A	141	139	2.42
33	A	72	71	5.83

Atom	x (Å)	y (Å)	z (Å)
N1	1.199	0.234	-0.342
C2	2.524	-0.067	0.213
C3	0.151	-0.747	-0.022
C4	-1.229	-0.056	0.024
O5	-1.128	1.288	0.103
O6	-2.282	-0.666	0.022
H7	1.273	0.324	-1.361
H8	0.093	-1.615	-0.704
H9	2.935	-1.047	-0.105
H10	3.233	0.721	-0.087
H11	0.342	-1.148	0.989
H12	2.463	-0.064	1.313
H13	-0.134	1.437	0.062

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4680	1.4711	2.4725	2.5932	3.6143	1.0249	2.1852	2.1701	2.1063	2.1021	2.1041	1.8398
C2	1.4680		2.4796	3.7576	3.8970	4.8472	2.0482	3.0243	1.1088	1.1011	2.5556	1.1020	3.0573
C3	1.4711	2.4796		1.5439	2.4070	2.4351	2.0488	1.1055	2.8008	3.4137	1.1046	2.7556	2.2037
C4	2.4725	3.7576	1.5439		1.3502	1.2172	2.8847	2.1700	4.2815	4.5298	2.1428	3.9100	1.8518
O5	2.5932	3.8970	2.4070	1.3502		2.2707	2.9728	3.2515	4.6904	4.4015	2.9803	4.0232	1.0064
O6	3.6143	4.8472	2.4351	1.2172	2.2707		3.9410	2.6591	5.2322	5.6874	2.8384	4.9542	3.0064
H7	1.0249	2.0482	2.0488	2.8847	2.9728	3.9410		2.3631	2.4932	2.3705	2.9250	2.9525	2.2892
H8	2.1852	3.0243	1.1055	2.1700	3.2515	2.6591	2.3631		2.9588	3.9613	1.7738	3.4770	3.1547
H9	2.1701	1.1088	2.8008	4.2815	4.6904	5.2322	2.4932	2.9588		1.7923	2.8156	1.7891	3.9508
H10	2.1063	1.1011	3.4137	4.5298	4.4015	5.6874	2.3705	3.9613	1.7923		3.6061	1.7803	3.4447
H11	2.1021	2.5556	1.1046	2.1428	2.9803	2.8384	2.9250	1.7738	2.8156	3.6061		2.4034	2.7870
H12	2.1041	1.1020	2.7556	3.9100	4.0232	4.9542	2.9525	3.4770	1.7891	1.7803	2.4034		3.2494
H13	1.8398	3.0573	2.2037	1.8518	1.0064	3.0064	2.2892	3.1547	3.9508	3.4447	2.7870	3.2494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	114.015	N1	C2	H10	109.311
N1	C2	H12	109.083	N1	C3	C4	110.164
N1	C3	H8	115.276	N1	C3	H11	108.562
C2	N1	C3	115.059	C2	N1	H7	109.199
C3	N1	H7	109.027	C3	C4	O5	112.372
C3	C4	O6	123.320	C4	C3	H8	108.858
C4	C3	H11	106.842	C4	O5	H13	102.607
O5	C4	O6	124.286	H8	C3	H11	106.764
H9	C2	H10	108.395	H9	C2	H12	108.037
H10	C2	H12	107.821

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: PBEPBE/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	-0.530
2	C	-0.237
3	C	-0.188
4	C	0.526
5	O	-0.452
6	O	-0.431
7	H	0.272
8	H	0.148
9	H	0.122
10	H	0.138
11	H	0.164
12	H	0.146
13	H	0.324

	x	y	z	Total
	5.392	-0.340	-0.668	5.444
CHELPG
AIM
ESP

	x	y	z
x	8.717	0.434	0.007
y	0.434	6.748	0.023
z	0.007	0.023	5.203

<r²>	194.161
(<r²>)^1/2	13.934

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)