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	hartrees
Energy at 0K	-322.865754
Energy at 298.15K	-322.875306
HF Energy	-321.876871
Nuclear repulsion energy	243.595766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3594	3376	7.01
2	A	3528	3314	320.58
3	A	3238	3041	16.98
4	A	3193	2999	17.25
5	A	3185	2992	13.31
6	A	3122	2932	14.37
7	A	3091	2903	63.74
8	A	1840	1729	330.90
9	A	1565	1469	9.69
10	A	1545	1451	12.14
11	A	1528	1435	15.19
12	A	1508	1416	9.23
13	A	1496	1405	0.56
14	A	1422	1335	376.44
15	A	1378	1294	28.83
16	A	1318	1238	4.72
17	A	1246	1170	10.27
18	A	1208	1135	28.23
19	A	1181	1109	29.34
20	A	1161	1090	16.63
21	A	1029	967	23.12
22	A	995	935	16.90
23	A	920	864	72.88
24	A	891	837	24.39
25	A	800	752	72.36
26	A	643	604	4.54
27	A	580	545	8.60
28	A	481	452	9.02
29	A	379	356	3.70
30	A	292	274	5.67
31	A	213	200	2.35
32	A	133	125	3.09
33	A	68	63	6.22

Atom	x (Å)	y (Å)	z (Å)
N1	1.202	0.250	-0.349
C2	2.517	-0.070	0.211
C3	0.165	-0.723	-0.008
C4	-1.212	-0.064	0.023
O5	-1.166	1.280	0.109
O6	-2.251	-0.697	0.009
H7	1.277	0.323	-1.359
H8	0.116	-1.592	-0.668
H9	2.878	-1.063	-0.073
H10	3.235	0.673	-0.125
H11	0.354	-1.091	1.002
H12	2.456	-0.020	1.296
H13	-0.207	1.501	0.072

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4644	1.4620	2.4623	2.6229	3.5981	1.0155	2.1613	2.1465	2.0890	2.0832	2.0857	1.9307
C2	1.4644		2.4507	3.7336	3.9241	4.8132	2.0385	2.9753	1.0939	1.0869	2.5188	1.0878	3.1474
C3	1.4620	2.4507		1.5265	2.4080	2.4162	2.0387	1.0920	2.7350	3.3750	1.0914	2.7284	2.2562
C4	2.4623	3.7336	1.5265		1.3482	1.2166	2.8727	2.1382	4.2110	4.5104	2.1135	3.8831	1.8609
O5	2.6229	3.9241	2.4080	1.3482		2.2575	3.0063	3.2395	4.6774	4.4493	2.9553	4.0276	0.9850
O6	3.5981	4.8132	2.4162	1.2166	2.2575		3.9189	2.6193	5.1427	5.6564	2.8161	4.9268	3.0022
H7	1.0155	2.0385	2.0387	2.8727	3.0063	3.9189		2.3436	2.4774	2.3407	2.9024	2.9248	2.3741
H8	2.1613	2.9753	1.0920	2.1382	3.2395	2.6193	2.3436		2.8744	3.8929	1.7593	3.4355	3.1962
H9	2.1465	1.0939	2.7350	4.2110	4.6774	5.1427	2.4774	2.8744		1.7732	2.7430	1.7717	4.0137
H10	2.0890	1.0869	3.3750	4.5104	4.4493	5.6564	2.3407	3.8929	1.7732		3.5612	1.7625	3.5457
H11	2.0832	2.5188	1.0914	2.1135	2.9553	2.8161	2.9024	1.7593	2.7430	3.5612		2.3772	2.8103
H12	2.0857	1.0878	2.7284	3.8831	4.0276	4.9268	2.9248	3.4355	1.7717	1.7625	2.3772		3.3018
H13	1.9307	3.1474	2.2562	1.8609	0.9850	3.0022	2.3741	3.1962	4.0137	3.5457	2.8103	3.3018

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.283	N1	C2	H10	109.033
N1	C2	H12	108.723	N1	C3	C4	110.939
N1	C3	H8	114.843	N1	C3	H11	108.475
C2	N1	C3	113.745	C2	N1	H7	109.241
C3	N1	H7	109.428	C3	C4	O5	113.639
C3	C4	O6	123.083	C4	C3	H8	108.343
C4	C3	H11	106.486	C4	O5	H13	104.718
O5	C4	O6	123.246	H8	C3	H11	107.376
H9	C2	H10	108.799	H9	C2	H12	108.607
H10	C2	H12	108.282

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)