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	hartrees
Energy at 0K	-322.747123
Energy at 298.15K	-322.756849
Nuclear repulsion energy	245.522866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3867	3578	186.44
2	A	3695	3419	3.19
3	A	3246	3004	28.63
4	A	3209	2969	7.71
5	A	3207	2967	40.25
6	A	3161	2925	22.25
7	A	3119	2886	62.54
8	A	1995	1846	393.19
9	A	1612	1491	25.93
10	A	1591	1472	6.46
11	A	1584	1466	21.87
12	A	1570	1453	12.11
13	A	1548	1433	1.15
14	A	1512	1399	469.62
15	A	1440	1333	25.99
16	A	1372	1269	7.11
17	A	1310	1213	3.04
18	A	1260	1166	18.67
19	A	1230	1138	27.80
20	A	1202	1112	19.29
21	A	1066	986	26.12
22	A	1046	968	12.51
23	A	943	873	35.15
24	A	926	857	63.05
25	A	781	722	105.43
26	A	694	642	5.09
27	A	620	574	15.86
28	A	499	462	12.00
29	A	393	364	2.90
30	A	288	267	2.63
31	A	216	200	2.49
32	A	135	125	2.79
33	A	87	81	7.86

Atom	x (Å)	y (Å)	z (Å)
N1	1.195	0.272	-0.315
C2	2.528	-0.070	0.155
C3	0.176	-0.692	0.059
C4	-1.214	-0.074	0.023
O5	-1.215	1.250	0.115
O6	-2.206	-0.721	-0.047
H7	1.210	0.364	-1.315
H8	0.163	-1.600	-0.543
H9	2.863	-1.055	-0.174
H10	3.235	0.673	-0.200
H11	0.348	-0.995	1.091
H12	2.543	-0.050	1.241
H13	-0.302	1.540	0.135

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4543	1.4518	2.4569	2.6361	3.5532	1.0050	2.1499	2.1366	2.0822	2.0732	2.0833	2.0125
C2	1.4543		2.4347	3.7444	3.9690	4.7830	2.0221	2.9023	1.0920	1.0850	2.5464	1.0858	3.2556
C3	1.4518	2.4347		1.5223	2.3902	2.3849	2.0186	1.0891	2.7213	3.3596	1.0885	2.7218	2.2846
C4	2.4569	3.7444	1.5223		1.3271	1.1869	2.8031	2.1320	4.1983	4.5167	2.1044	3.9493	1.8574
O5	2.6361	3.9690	2.3902	1.3271		2.2128	2.9514	3.2335	4.6937	4.4984	2.9042	4.1325	0.9584
O6	3.5532	4.7830	2.3849	1.1869	2.2128		3.8022	2.5747	5.0818	5.6189	2.8091	4.9658	2.9624
H7	1.0050	2.0221	2.0186	2.8031	2.9514	3.8022		2.3564	2.4602	2.3323	2.8948	2.9125	2.4021
H8	2.1499	2.9023	1.0891	2.1320	3.2335	2.5747	2.3564		2.7793	3.8368	1.7516	3.3535	3.2460
H9	2.1366	1.0920	2.7213	4.1983	4.6937	5.0818	2.4602	2.7793		1.7678	2.8160	1.7647	4.1048
H10	2.0822	1.0850	3.3596	4.5167	4.4984	5.6189	2.3323	3.8368	1.7678		3.5754	1.7547	3.6569
H11	2.0732	2.5464	1.0885	2.1044	2.9042	2.8091	2.8948	1.7516	2.8160	3.5754		2.3942	2.7862
H12	2.0833	1.0858	2.7218	3.9493	4.1325	4.9658	2.9125	3.3535	1.7647	1.7547	2.3942		3.4414
H13	2.0125	3.2556	2.2846	1.8574	0.9584	2.9624	2.4021	3.2460	4.1048	3.6569	2.7862	3.4414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.331	N1	C2	H10	109.307
N1	C2	H12	109.352	N1	C3	C4	111.381
N1	C3	H8	114.833	N1	C3	H11	108.549
C2	N1	C3	113.814	C2	N1	H7	109.260
C3	N1	H7	109.144	C3	C4	O5	113.859
C3	C4	O6	122.879	C4	C3	H8	108.316
C4	C3	H11	106.234	C4	O5	H13	107.617
O5	C4	O6	123.235	H8	C3	H11	107.101
H9	C2	H10	108.587	H9	C2	H12	108.257
H10	C2	H12	107.859

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: CISD/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: CISD/6-311G*

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)