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	hartrees
Energy at 0K	-321.929534
Energy at 298.15K	-321.939317
Nuclear repulsion energy	245.760556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4056	3668	166.29
2	A	3768	3408	1.85
3	A	3270	2957	46.16
4	A	3242	2932	27.91
5	A	3233	2924	42.94
6	A	3202	2896	31.09
7	A	3151	2850	79.38
8	A	2048	1852	458.24
9	A	1668	1508	30.50
10	A	1643	1486	4.26
11	A	1634	1478	17.27
12	A	1621	1466	8.15
13	A	1597	1444	1.29
14	A	1547	1399	481.49
15	A	1493	1350	74.42
16	A	1414	1279	9.74
17	A	1337	1209	1.24
18	A	1297	1173	14.14
19	A	1263	1142	28.05
20	A	1228	1110	33.93
21	A	1100	995	26.81
22	A	1063	962	11.68
23	A	962	870	31.88
24	A	928	839	71.22
25	A	759	686	124.43
26	A	715	647	4.77
27	A	642	581	21.75
28	A	511	462	14.30
29	A	396	358	2.76
30	A	288	260	2.48
31	A	219	198	2.86
32	A	131	118	3.10
33	A	90	81	8.90

Atom	x (Å)	y (Å)	z (Å)
N1	1.200	0.271	-0.311
C2	2.539	-0.062	0.146
C3	0.180	-0.685	0.074
C4	-1.215	-0.077	0.023
O5	-1.244	1.241	0.115
O6	-2.190	-0.732	-0.058
H7	1.205	0.372	-1.305
H8	0.171	-1.597	-0.513
H9	2.878	-1.041	-0.189
H10	3.236	0.684	-0.213
H11	0.346	-0.973	1.107
H12	2.566	-0.047	1.229
H13	-0.358	1.574	0.146

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4532	1.4503	2.4627	2.6637	3.5444	0.9990	2.1430	2.1339	2.0796	2.0712	2.0829	2.0821
C2	1.4532		2.4409	3.7559	4.0009	4.7804	2.0181	2.8986	1.0894	1.0823	2.5620	1.0831	3.3272
C3	1.4503	2.4409		1.5226	2.3952	2.3740	2.0177	1.0854	2.7346	3.3609	1.0853	2.7268	2.3231
C4	2.4627	3.7559	1.5226		1.3210	1.1775	2.7966	2.1258	4.2108	4.5216	2.1016	3.9691	1.8635
O5	2.6637	4.0009	2.3952	1.3210		2.1947	2.9611	3.2327	4.7216	4.5264	2.9008	4.1732	0.9464
O6	3.5444	4.7804	2.3740	1.1775	2.1947		3.7816	2.5549	5.0794	5.6098	2.8012	4.9748	2.9516
H7	0.9990	2.0181	2.0177	2.7966	2.9611	3.7816		2.3616	2.4584	2.3264	2.8927	2.9065	2.4479
H8	2.1430	2.8986	1.0854	2.1258	3.2327	2.5549	2.3616		2.7834	3.8329	1.7454	3.3438	3.2818
H9	2.1339	1.0894	2.7346	4.2108	4.7216	5.0794	2.4584	2.7834		1.7618	2.8457	1.7597	4.1748
H10	2.0796	1.0823	3.3609	4.5216	4.5264	5.6098	2.3264	3.8329	1.7618		3.5838	1.7500	3.7206
H11	2.0712	2.5620	1.0853	2.1016	2.9008	2.8012	2.8927	1.7454	2.8457	3.5838		2.4093	2.8124
H12	2.0829	1.0831	2.7268	3.9691	4.1732	4.9748	2.9065	3.3438	1.7597	1.7500	2.4093		3.5149
H13	2.0821	3.3272	2.3231	1.8635	0.9464	2.9516	2.4479	3.2818	4.1748	3.7206	2.8124	3.5149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.351	N1	C2	H10	109.330
N1	C2	H12	109.548	N1	C3	C4	111.849
N1	C3	H8	114.610	N1	C3	H11	108.695
C2	N1	C3	114.422	C2	N1	H7	109.365
C3	N1	H7	109.557	C3	C4	O5	114.590
C3	C4	O6	122.586	C4	C3	H8	108.028
C4	C3	H11	106.175	C4	O5	H13	109.433
O5	C4	O6	122.796	H8	C3	H11	107.050
H9	C2	H10	108.441	H9	C2	H12	108.192
H10	C2	H12	107.827

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: HF/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	-0.677
2	C	-0.451
3	C	-0.365
4	C	0.610
5	O	-0.611
6	O	-0.437
7	H	0.339
8	H	0.240
9	H	0.199
10	H	0.220
11	H	0.249
12	H	0.222
13	H	0.462

	x	y	z	Total
	5.570	0.050	-0.372	5.582
CHELPG
AIM
ESP

	x	y	z
x	7.419	0.529	0.087
y	0.529	6.138	-0.003
z	0.087	-0.003	5.006

<r²>	197.887
(<r²>)^1/2	14.067

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)