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	hartrees
Energy at 0K	-323.764579
Energy at 298.15K	-323.773910
Nuclear repulsion energy	241.498307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3406	3396	1.42
2	A	3275	3265	295.78
3	A	3030	3021	22.94
4	A	2995	2986	1.62
5	A	2994	2985	30.30
6	A	2950	2941	26.83
7	A	2904	2896	82.30
8	A	1772	1766	328.54
9	A	1481	1477	8.90
10	A	1461	1457	12.55
11	A	1449	1445	11.58
12	A	1436	1432	4.71
13	A	1422	1418	2.70
14	A	1369	1365	323.74
15	A	1306	1302	4.28
16	A	1251	1247	3.50
17	A	1156	1153	21.24
18	A	1129	1126	6.32
19	A	1103	1100	43.02
20	A	1073	1070	34.69
21	A	975	972	22.10
22	A	917	914	8.65
23	A	874	871	53.08
24	A	825	822	21.30
25	A	753	750	55.31
26	A	617	615	3.09
27	A	556	554	6.38
28	A	459	458	8.79
29	A	360	359	4.28
30	A	272	271	5.44
31	A	197	197	2.27
32	A	132	132	2.38
33	A	68	67	5.45

Atom	x (Å)	y (Å)	z (Å)
N1	1.219	0.246	-0.343
C2	2.549	-0.066	0.218
C3	0.159	-0.735	-0.028
C4	-1.234	-0.068	0.024
O5	-1.178	1.289	0.104
O6	-2.272	-0.692	0.023
H7	1.296	0.347	-1.356
H8	0.105	-1.590	-0.718
H9	2.946	-1.046	-0.098
H10	3.259	0.711	-0.087
H11	0.346	-1.145	0.973
H12	2.489	-0.057	1.313
H13	-0.206	1.498	0.064

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4777	1.4785	2.5001	2.6516	3.6334	1.0208	2.1803	2.1714	2.1079	2.1046	2.1092	1.9390
C2	1.4777		2.4949	3.7889	3.9679	4.8663	2.0540	3.0291	1.1035	1.0956	2.5668	1.0962	3.1715
C3	1.4785	2.4949		1.5455	2.4290	2.4319	2.0561	1.0998	2.8057	3.4213	1.0982	2.7731	2.2640
C4	2.5001	3.7889	1.5455		1.3599	1.2113	2.9120	2.1589	4.2953	4.5615	2.1356	3.9406	1.8736
O5	2.6516	3.9679	2.4290	1.3599		2.2643	3.0234	3.2570	4.7437	4.4786	3.0005	4.0896	0.9957
O6	3.6334	4.8663	2.4319	1.2113	2.2643		3.9642	2.6468	5.2319	5.7074	2.8224	4.9741	3.0114
H7	1.0208	2.0540	2.0561	2.9120	3.0234	3.9642		2.3618	2.4990	2.3648	2.9245	2.9510	2.3655
H8	2.1803	3.0291	1.0998	2.1589	3.2570	2.6468	2.3618		2.9587	3.9546	1.7653	3.4870	3.2002
H9	2.1714	1.1035	2.8057	4.2953	4.7437	5.2319	2.4990	2.9587		1.7846	2.8136	1.7821	4.0533
H10	2.1079	1.0956	3.4213	4.5615	4.4786	5.7074	2.3648	3.9546	1.7846		3.6128	1.7729	3.5557
H11	2.1046	2.5668	1.0982	2.1356	3.0005	2.8224	2.9245	1.7653	2.8136	3.6128		2.4272	2.8486
H12	2.1092	1.0962	2.7731	3.9406	4.0896	4.9741	2.9510	3.4870	1.7821	1.7729	2.4272		3.3525
H13	1.9390	3.1715	2.2640	1.8736	0.9957	3.0114	2.3655	3.2002	4.0533	3.5557	2.8486	3.3525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.749	N1	C2	H10	109.093
N1	C2	H12	109.159	N1	C3	C4	111.517
N1	C3	H8	114.681	N1	C3	H11	108.632
C2	N1	C3	115.119	C2	N1	H7	109.219
C3	N1	H7	109.343	C3	C4	O5	113.293
C3	C4	O6	123.352	C4	C3	H8	108.215
C4	C3	H11	106.534	C4	O5	H13	104.316
O5	C4	O6	123.337	H8	C3	H11	106.856
H9	C2	H10	108.488	H9	C2	H12	108.221
H10	C2	H12	107.976

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: BLYP/cc-pVTZ

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	-0.223
2	C	-0.183
3	C	-0.125
4	C	0.249
5	O	-0.227
6	O	-0.275
7	H	0.120
8	H	0.096
9	H	0.075
10	H	0.098
11	H	0.104
12	H	0.098
13	H	0.193

	x	y	z	Total
	5.270	-0.169	-0.623	5.310
CHELPG
AIM
ESP

	x	y	z
x	9.938	0.296	0.028
y	0.296	7.828	0.030
z	0.028	0.030	6.092

<r²>	203.203
(<r²>)^1/2	14.255

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)