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	hartrees
Energy at 0K	-322.249883
Energy at 298.15K	-322.259378
Nuclear repulsion energy	241.799421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3648	3421	6.78
2	A	3636	3410	189.17
3	A	3216	3016	24.76
4	A	3176	2978	11.89
5	A	3174	2977	28.82
6	A	3126	2931	14.63
7	A	3085	2893	60.10
8	A	1863	1747	301.37
9	A	1617	1516	11.72
10	A	1596	1497	8.13
11	A	1593	1494	17.87
12	A	1581	1483	6.73
13	A	1558	1461	0.86
14	A	1446	1356	8.79
15	A	1406	1318	442.55
16	A	1361	1276	13.69
17	A	1273	1194	8.51
18	A	1245	1167	11.87
19	A	1215	1140	31.27
20	A	1192	1118	24.29
21	A	1062	996	30.74
22	A	994	932	7.49
23	A	900	844	65.51
24	A	875	820	105.16
25	A	762	714	124.63
26	A	642	602	6.42
27	A	584	548	18.23
28	A	491	460	13.84
29	A	387	363	5.44
30	A	298	279	7.40
31	A	201	188	1.40
32	A	123	115	2.54
33	A	42	40	6.88

Atom	x (Å)	y (Å)	z (Å)
N1	-1.215	0.168	0.401
C2	-2.518	-0.033	-0.258
C3	-0.142	-0.771	0.040
C4	1.211	-0.057	-0.027
O5	1.131	1.302	-0.091
O6	2.278	-0.657	-0.055
H7	-1.311	0.268	1.403
H8	-0.043	-1.625	0.718
H9	-2.967	-1.012	-0.048
H10	-3.206	0.746	0.074
H11	-0.344	-1.175	-0.957
H12	-2.391	0.064	-1.338
H13	0.192	1.570	-0.026

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4746	1.4707	2.4734	2.6518	3.6175	1.0112	2.1647	2.1599	2.0987	2.0984	2.1022	2.0319
C2	1.4746		2.5062	3.7365	3.8897	4.8407	2.0753	3.1005	1.0977	1.0906	2.5530	1.0914	3.1578
C3	1.4707	2.5062		1.5313	2.4366	2.4242	2.0744	1.0945	2.8370	3.4189	1.0940	2.7671	2.3660
C4	2.4734	3.7365	1.5313		1.3633	1.2243	2.9171	2.1411	4.2862	4.4902	2.1287	3.8355	1.9198
O5	2.6518	3.8897	2.4366	1.3633		2.2706	3.0439	3.2557	4.7071	4.3756	3.0101	3.9366	0.9784
O6	3.6175	4.8407	2.4242	1.2243	2.2706		3.9825	2.6306	5.2571	5.6615	2.8203	4.8956	3.0513
H7	1.0112	2.0753	2.0744	2.9171	3.0439	3.9825		2.3784	2.5464	2.3628	2.9295	2.9530	2.4490
H8	2.1647	3.1005	1.0945	2.1411	3.2557	2.6306	2.3784		3.0842	4.0042	1.7602	3.5488	3.2886
H9	2.1599	1.0977	2.8370	4.2862	4.7071	5.2571	2.5464	3.0842		1.7780	2.7812	1.7764	4.0808
H10	2.0987	1.0906	3.4189	4.4902	4.3756	5.6615	2.3628	4.0042	1.7780		3.5970	1.7669	3.4982
H11	2.0984	2.5530	1.0940	2.1287	3.0101	2.8203	2.9295	1.7602	2.7812	3.5970		2.4231	2.9474
H12	2.1022	1.0914	2.7671	3.8355	3.9366	4.8956	2.9530	3.5488	1.7764	1.7669	2.4231		3.2658
H13	2.0319	3.1578	2.3660	1.9198	0.9784	3.0513	2.4490	3.2886	4.0808	3.4982	2.9474	3.2658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.406	N1	C2	H10	108.881
N1	C2	H12	109.114	N1	C3	C4	110.945
N1	C3	H8	114.303	N1	C3	H11	108.919
C2	N1	C3	116.624	C2	N1	H7	111.851
C3	N1	H7	112.066	C3	C4	O5	114.538
C3	C4	O6	122.842	C4	C3	H8	108.107
C4	C3	H11	107.183	C4	O5	H13	109.029
O5	C4	O6	122.594	H8	C3	H11	107.085
H9	C2	H10	108.680	H9	C2	H12	108.484
H10	C2	H12	108.149

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)