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	hartrees
Energy at 0K	-321.615372
Energy at 298.15K	-321.625198
HF Energy	-321.615372
Nuclear repulsion energy	248.106276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3513	3384	5.44
2	A	3164	3048	11.71
3	A	3140	3025	4.58
4	A	3126	3011	15.30
5	A	3080	2967	13.79
6	A	3040	2928	30.03
7	A	2847	2742	368.30
8	A	1856	1788	344.20
9	A	1581	1523	19.52
10	A	1564	1506	31.35
11	A	1522	1466	108.31
12	A	1498	1443	21.91
13	A	1493	1438	9.50
14	A	1455	1402	273.43
15	A	1352	1303	7.21
16	A	1301	1253	7.54
17	A	1199	1155	20.38
18	A	1187	1144	25.15
19	A	1154	1111	53.27
20	A	1126	1084	18.63
21	A	1095	1055	105.38
22	A	1009	972	5.38
23	A	932	898	6.93
24	A	860	828	42.74
25	A	765	737	36.23
26	A	664	640	9.76
27	A	571	550	4.39
28	A	511	493	4.67
29	A	393	379	42.75
30	A	379	365	3.72
31	A	246	237	0.84
32	A	154	149	2.20
33	A	104	100	5.10

Atom	x (Å)	y (Å)	z (Å)
N1	1.153	0.231	-0.309
C2	2.515	-0.089	0.155
C3	0.131	-0.764	0.035
C4	-1.222	-0.059	0.027
O5	-1.042	1.277	0.120
O6	-2.296	-0.625	-0.029
H7	1.144	0.421	-1.315
H8	0.073	-1.663	-0.595
H9	2.904	-1.047	-0.228
H10	3.197	0.709	-0.150
H11	0.313	-1.096	1.066
H12	2.520	-0.136	1.249
H13	-0.060	1.454	0.107

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4740	1.4673	2.4157	2.4690	3.5643	1.0236	2.1985	2.1692	2.1058	2.0869	2.1051	1.7717
C2	1.4740		2.4803	3.7387	3.8102	4.8436	2.0736	2.9998	1.1023	1.0940	2.5859	1.0947	3.0019
C3	1.4673	2.4803		1.5255	2.3558	2.4314	2.0625	1.0987	2.7999	3.4071	1.0984	2.7525	2.2271
C4	2.4157	3.7387	1.5255		1.3512	1.2154	2.7621	2.1531	4.2501	4.4889	2.1240	3.9370	1.9088
O5	2.4690	3.8102	2.3558	1.3512		2.2831	2.7515	3.2245	4.5926	4.2858	2.8918	3.9950	0.9978
O6	3.5643	4.8436	2.4314	1.2154	2.2831		3.8188	2.6475	5.2206	5.6541	2.8683	5.0062	3.0558
H7	1.0236	2.0736	2.0625	2.7621	2.7515	3.8188		2.4514	2.5361	2.3780	2.9427	2.9625	2.1302
H8	2.1985	2.9998	1.0987	2.1531	3.2245	2.6475	2.4514		2.9202	3.9477	1.7713	3.4230	3.1972
H9	2.1692	1.1023	2.7999	4.2501	4.5926	5.2206	2.5361	2.9202		1.7817	2.8963	1.7774	3.8922
H10	2.1058	1.0940	3.4071	4.4889	4.2858	5.6541	2.3780	3.9477	1.7817		3.6128	1.7693	3.3513
H11	2.0869	2.5859	1.0984	2.1240	2.8918	2.8683	2.9427	1.7713	2.8963	3.6128		2.4130	2.7490
H12	2.1051	1.0947	2.7525	3.9370	3.9950	5.0062	2.9625	3.4230	1.7774	1.7693	2.4130		3.2384
H13	1.7717	3.0019	2.2271	1.9088	0.9978	3.0558	2.1302	3.1972	3.8922	3.3513	2.7490	3.2384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.918	N1	C2	H10	109.278
N1	C2	H12	109.182	N1	C3	C4	107.625
N1	C3	H8	117.190	N1	C3	H11	107.990
C2	N1	C3	114.977	C2	N1	H7	110.956
C3	N1	H7	110.524	C3	C4	O5	109.805
C3	C4	O6	124.633	C4	C3	H8	109.185
C4	C3	H11	106.962	C4	O5	H13	107.751
O5	C4	O6	125.548	H8	C3	H11	107.454
H9	C2	H10	108.429	H9	C2	H12	107.989
H10	C2	H12	107.873

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: HSEh1PBE/3-21G

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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All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)