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	hartrees
Energy at 0K	-322.623384
Energy at 298.15K	-322.633074
HF Energy	-321.853050
Nuclear repulsion energy	244.921486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3762	3483	231.81
2	A	3660	3388	5.11
3	A	3268	3026	24.37
4	A	3228	2989	27.37
5	A	3222	2983	15.95
6	A	3174	2939	17.16
7	A	3140	2907	55.87
8	A	2002	1853	368.15
9	A	1617	1497	14.37
10	A	1597	1479	11.04
11	A	1596	1477	23.65
12	A	1580	1463	10.23
13	A	1558	1442	0.79
14	A	1515	1403	466.57
15	A	1447	1339	32.74
16	A	1371	1269	5.94
17	A	1324	1226	3.10
18	A	1265	1171	21.39
19	A	1231	1140	28.76
20	A	1206	1117	15.11
21	A	1069	990	25.61
22	A	1047	969	11.12
23	A	943	873	31.74
24	A	924	855	68.91
25	A	783	725	103.00
26	A	687	636	4.87
27	A	614	569	16.28
28	A	498	461	12.44
29	A	393	364	3.30
30	A	289	267	2.97
31	A	216	200	2.48
32	A	133	123	3.13
33	A	86	80	7.92

Atom	x (Å)	y (Å)	z (Å)
N1	1.196	0.272	-0.310
C2	2.532	-0.071	0.154
C3	0.176	-0.695	0.059
C4	-1.212	-0.073	0.022
O5	-1.215	1.256	0.115
O6	-2.213	-0.723	-0.047
H7	1.209	0.373	-1.315
H8	0.159	-1.600	-0.550
H9	2.872	-1.053	-0.187
H10	3.235	0.679	-0.197
H11	0.348	-1.005	1.089
H12	2.546	-0.063	1.241
H13	-0.287	1.539	0.132

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4560	1.4532	2.4545	2.6386	3.5607	1.0103	2.1531	2.1402	2.0826	2.0755	2.0836	1.9996
C2	1.4560		2.4396	3.7465	3.9760	4.7941	2.0261	2.9091	1.0930	1.0863	2.5530	1.0871	3.2466
C3	1.4532	2.4396		1.5214	2.3973	2.3913	2.0240	1.0904	2.7308	3.3634	1.0898	2.7230	2.2833
C4	2.4545	3.7465	1.5214		1.3321	1.1962	2.8016	2.1309	4.2049	4.5150	2.1076	3.9505	1.8620
O5	2.6386	3.9760	2.3973	1.3321		2.2228	2.9506	3.2390	4.7041	4.4981	2.9168	4.1419	0.9712
O6	3.5607	4.7941	2.3913	1.1962	2.2228		3.8109	2.5787	5.0975	5.6275	2.8160	4.9742	2.9774
H7	1.0103	2.0261	2.0240	2.8016	2.9506	3.8109		2.3624	2.4636	2.3338	2.9020	2.9171	2.3860
H8	2.1531	2.9091	1.0904	2.1309	3.2390	2.5787	2.3624		2.7908	3.8443	1.7535	3.3561	3.2436
H9	2.1402	1.0930	2.7308	4.2049	4.7041	5.0975	2.4636	2.7908		1.7699	2.8283	1.7673	4.0984
H10	2.0826	1.0863	3.3634	4.5150	4.4981	5.6275	2.3338	3.8443	1.7699		3.5812	1.7587	3.6396
H11	2.0755	2.5530	1.0898	2.1076	2.9168	2.8160	2.9020	1.7535	2.8283	3.5812		2.3961	2.7920
H12	2.0836	1.0871	2.7230	3.9505	4.1419	4.9742	2.9171	3.3561	1.7673	1.7587	2.3961		3.4382
H13	1.9996	3.2466	2.2833	1.8620	0.9712	2.9774	2.3860	3.2436	4.0984	3.6396	2.7920	3.4382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.434	N1	C2	H10	109.139
N1	C2	H12	109.170	N1	C3	C4	111.193
N1	C3	H8	114.919	N1	C3	H11	108.559
C2	N1	C3	113.987	C2	N1	H7	109.141
C3	N1	H7	109.174	C3	C4	O5	114.145
C3	C4	O6	122.824	C4	C3	H8	108.218
C4	C3	H11	106.464	C4	O5	H13	106.835
O5	C4	O6	123.000	H8	C3	H11	107.085
H9	C2	H10	108.609	H9	C2	H12	108.315
H10	C2	H12	108.036

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: CISD/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)