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	hartrees
Energy at 0K	-322.984298
Energy at 298.15K	-322.993874
HF Energy	-321.968708
Nuclear repulsion energy	244.281123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3560	3375	5.95
2	A	3490	3308	343.44
3	A	3192	3026	18.46
4	A	3152	2988	0.97
5	A	3149	2984	30.93
6	A	3091	2930	14.51
7	A	3054	2895	58.37
8	A	1846	1749	319.07
9	A	1541	1461	10.48
10	A	1523	1444	14.40
11	A	1508	1430	13.98
12	A	1497	1419	7.85
13	A	1480	1403	1.64
14	A	1431	1357	357.23
15	A	1371	1299	9.46
16	A	1313	1245	4.37
17	A	1238	1173	14.59
18	A	1201	1138	26.95
19	A	1171	1110	34.23
20	A	1157	1096	18.63
21	A	1026	973	22.09
22	A	993	942	17.55
23	A	923	875	66.61
24	A	889	843	23.08
25	A	799	757	67.05
26	A	653	619	3.62
27	A	579	549	8.92
28	A	479	454	8.56
29	A	379	359	3.80
30	A	290	275	4.66
31	A	215	204	2.66
32	A	134	127	2.77
33	A	70	66	6.68

Atom	x (Å)	y (Å)	z (Å)
N1	1.193	0.274	-0.310
C2	2.531	-0.080	0.152
C3	0.175	-0.699	0.058
C4	-1.217	-0.073	0.029
O5	-1.192	1.264	0.116
O6	-2.232	-0.715	-0.049
H7	1.202	0.383	-1.318
H8	0.154	-1.606	-0.553
H9	2.863	-1.067	-0.192
H10	3.242	0.668	-0.197
H11	0.354	-1.003	1.092
H12	2.544	-0.075	1.242
H13	-0.247	1.500	0.134

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4587	1.4552	2.4587	2.6170	3.5749	1.0140	2.1619	2.1448	2.0890	2.0741	2.0866	1.9424
C2	1.4587		2.4372	3.7500	3.9577	4.8094	2.0346	2.9110	1.0965	1.0888	2.5447	1.0898	3.1952
C3	1.4552	2.4372		1.5270	2.3924	2.4100	2.0296	1.0942	2.7245	3.3666	1.0929	2.7203	2.2402
C4	2.4587	3.7500	1.5270		1.3399	1.2035	2.8066	2.1379	4.2055	4.5256	2.1128	3.9519	1.8516
O5	2.6170	3.9577	2.3924	1.3399		2.2419	2.9264	3.2399	4.6870	4.4841	2.9119	4.1248	0.9745
O6	3.5749	4.8094	2.4100	1.2035	2.2419		3.8227	2.5968	5.1096	5.6477	2.8414	4.9888	2.9806
H7	1.0140	2.0346	2.0296	2.8066	2.9264	3.8227		2.3756	2.4757	2.3445	2.9072	2.9260	2.3357
H8	2.1619	2.9110	1.0942	2.1379	3.2399	2.5968	2.3756		2.7857	3.8509	1.7636	3.3577	3.2066
H9	2.1448	1.0965	2.7245	4.2055	4.6870	5.1096	2.4757	2.7857		1.7750	2.8197	1.7718	4.0453
H10	2.0890	1.0888	3.3666	4.5256	4.4841	5.6477	2.3445	3.8509	1.7750		3.5766	1.7626	3.6012
H11	2.0741	2.5447	1.0929	2.1128	2.9119	2.8414	2.9072	1.7636	2.8197	3.5766		2.3832	2.7464
H12	2.0866	1.0898	2.7203	3.9519	4.1248	4.9888	2.9260	3.3577	1.7718	1.7626	2.3832		3.3902
H13	1.9424	3.1952	2.2402	1.8516	0.9745	2.9806	2.3357	3.2066	4.0453	3.6012	2.7464	3.3902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.400	N1	C2	H10	109.316
N1	C2	H12	109.067	N1	C3	C4	111.049
N1	C3	H8	115.263	N1	C3	H11	108.129
C2	N1	C3	113.524	C2	N1	H7	109.426
C3	N1	H7	109.261	C3	C4	O5	112.963
C3	C4	O6	123.490	C4	C3	H8	108.164
C4	C3	H11	106.321	C4	O5	H13	105.168
O5	C4	O6	123.542	H8	C3	H11	107.493
H9	C2	H10	108.632	H9	C2	H12	108.279
H10	C2	H12	108.007

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)