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	hartrees
Energy at 0K	-323.007357
Energy at 298.15K	-323.016984
HF Energy	-321.925363
Nuclear repulsion energy	244.187763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3568	3379	6.54
2	A	3547	3359	234.53
3	A	3191	3022	19.60
4	A	3149	2983	19.23
5	A	3140	2974	16.66
6	A	3081	2918	18.20
7	A	3050	2889	58.37
8	A	1875	1776	290.05
9	A	1556	1474	13.73
10	A	1538	1457	19.97
11	A	1527	1446	20.46
12	A	1515	1434	12.19
13	A	1496	1417	2.79
14	A	1455	1378	414.68
15	A	1373	1300	4.78
16	A	1321	1252	4.88
17	A	1254	1188	10.73
18	A	1206	1142	18.79
19	A	1182	1119	29.39
20	A	1158	1096	16.55
21	A	1031	977	27.90
22	A	1003	950	16.54
23	A	934	885	69.38
24	A	900	853	21.77
25	A	799	756	81.92
26	A	664	629	4.25
27	A	588	557	9.18
28	A	480	455	9.00
29	A	388	367	2.90
30	A	290	275	2.83
31	A	214	203	2.11
32	A	139	132	2.33
33	A	85	80	6.76

Atom	x (Å)	y (Å)	z (Å)
N1	1.193	0.271	-0.322
C2	2.527	-0.078	0.167
C3	0.171	-0.707	0.044
C4	-1.218	-0.070	0.023
O5	-1.182	1.268	0.116
O6	-2.237	-0.709	-0.035
H7	1.220	0.350	-1.333
H8	0.153	-1.611	-0.575
H9	2.861	-1.072	-0.156
H10	3.244	0.665	-0.187
H11	0.354	-1.023	1.076
H12	2.524	-0.052	1.257
H13	-0.233	1.501	0.120

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4625	1.4612	2.4600	2.6126	3.5794	1.0146	2.1660	2.1482	2.0921	2.0824	2.0901	1.9340
C2	1.4625		2.4412	3.7481	3.9457	4.8100	2.0346	2.9222	1.0976	1.0907	2.5388	1.0910	3.1797
C3	1.4612	2.4412		1.5292	2.3950	2.4100	2.0279	1.0960	2.7216	3.3724	1.0949	2.7267	2.2461
C4	2.4600	3.7481	1.5292		1.3409	1.2042	2.8215	2.1481	4.2047	4.5269	2.1188	3.9405	1.8569
O5	2.6126	3.9457	2.3950	1.3409		2.2456	2.9513	3.2474	4.6792	4.4767	2.9205	4.0961	0.9776
O6	3.5794	4.8100	2.4100	1.2042	2.2456		3.8417	2.6110	5.1126	5.6524	2.8364	4.9769	2.9877
H7	1.0146	2.0346	2.0279	2.8215	2.9513	3.8417		2.3579	2.4702	2.3471	2.9053	2.9277	2.3549
H8	2.1660	2.9222	1.0960	2.1481	3.2474	2.6110	2.3579		2.7932	3.8582	1.7642	3.3782	3.2121
H9	2.1482	1.0976	2.7216	4.2047	4.6792	5.1126	2.4702	2.7932		1.7791	2.7942	1.7752	4.0336
H10	2.0921	1.0907	3.3724	4.5269	4.4767	5.6524	2.3471	3.8582	1.7791		3.5773	1.7653	3.5886
H11	2.0824	2.5388	1.0949	2.1188	2.9205	2.8364	2.9053	1.7642	2.7942	3.5773		2.3848	2.7627
H12	2.0901	1.0910	2.7267	3.9405	4.0961	4.9769	2.9277	3.3782	1.7752	1.7653	2.3848		3.3623
H13	1.9340	3.1797	2.2461	1.8569	0.9776	2.9877	2.3549	3.2121	4.0336	3.5886	2.7627	3.3623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.319	N1	C2	H10	109.182
N1	C2	H12	109.003	N1	C3	C4	110.678
N1	C3	H8	115.028	N1	C3	H11	108.255
C2	N1	C3	113.219	C2	N1	H7	109.105
C3	N1	H7	108.638	C3	C4	O5	112.958
C3	C4	O6	123.255	C4	C3	H8	108.698
C4	C3	H11	106.523	C4	O5	H13	105.358
O5	C4	O6	123.759	H8	C3	H11	107.270
H9	C2	H10	108.776	H9	C2	H12	108.408
H10	C2	H12	108.022

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

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

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)