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	hartrees
Energy at 0K	-323.683915
Energy at 298.15K	-323.693218
Nuclear repulsion energy	240.736890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3395	3389	1.81
2	A	3248	3242	315.81
3	A	3043	3037	21.30
4	A	3006	3001	3.53
5	A	3002	2996	27.13
6	A	2955	2949	24.30
7	A	2909	2903	84.02
8	A	1748	1745	356.68
9	A	1457	1454	11.69
10	A	1434	1432	8.13
11	A	1430	1427	14.34
12	A	1415	1412	8.85
13	A	1396	1393	2.50
14	A	1358	1356	308.92
15	A	1286	1283	5.32
16	A	1237	1235	3.90
17	A	1151	1148	23.01
18	A	1121	1119	9.83
19	A	1095	1093	45.96
20	A	1077	1075	26.60
21	A	968	966	21.41
22	A	917	915	11.37
23	A	879	877	49.29
24	A	826	824	23.22
25	A	754	752	54.65
26	A	607	606	2.77
27	A	551	550	6.50
28	A	459	458	8.72
29	A	357	357	4.02
30	A	272	272	6.94
31	A	196	196	2.33
32	A	131	130	2.91
33	A	65	65	5.61

Atom	x (Å)	y (Å)	z (Å)
N1	1.221	0.249	-0.345
C2	2.550	-0.067	0.227
C3	0.160	-0.740	-0.039
C4	-1.232	-0.068	0.024
O5	-1.178	1.293	0.103
O6	-2.280	-0.692	0.032
H7	1.308	0.349	-1.362
H8	0.103	-1.590	-0.748
H9	2.949	-1.054	-0.095
H10	3.267	0.717	-0.074
H11	0.351	-1.166	0.964
H12	2.479	-0.062	1.329
H13	-0.202	1.504	0.057

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4814	1.4822	2.5006	2.6537	3.6446	1.0254	2.1892	2.1790	2.1165	2.1144	2.1169	1.9388
C2	1.4814		2.4976	3.7878	3.9704	4.8746	2.0585	3.0424	1.1119	1.1039	2.5666	1.1047	3.1732
C3	1.4822	2.4976		1.5467	2.4373	2.4413	2.0621	1.1081	2.8075	3.4320	1.1065	2.7766	2.2745
C4	2.5006	3.7878	1.5467		1.3642	1.2198	2.9238	2.1670	4.2975	4.5681	2.1432	3.9335	1.8798
O5	2.6537	3.9704	2.4373	1.3642		2.2716	3.0360	3.2672	4.7516	4.4854	3.0204	4.0878	0.9998
O6	3.6446	4.8746	2.4413	1.2198	2.2716		3.9878	2.6636	5.2432	5.7242	2.8310	4.9725	3.0237
H7	1.0254	2.0585	2.0621	2.9238	3.0360	3.9878		2.3634	2.5028	2.3729	2.9355	2.9627	2.3725
H8	2.1892	3.0424	1.1081	2.1670	3.2672	2.6636	2.3634		2.9685	3.9729	1.7808	3.5056	3.2113
H9	2.1790	1.1119	2.8075	4.2975	4.7516	5.2432	2.5028	2.9685		1.7994	2.8077	1.7977	4.0611
H10	2.1165	1.1039	3.4320	4.5681	4.4854	5.7242	2.3729	3.9729	1.7994		3.6227	1.7877	3.5591
H11	2.1144	2.5666	1.1065	2.1432	3.0204	2.8310	2.9355	1.7808	2.8077	3.6227		2.4246	2.8727
H12	2.1169	1.1047	2.7766	3.9335	4.0878	4.9725	2.9627	3.5056	1.7977	1.7877	2.4246		3.3546
H13	1.9388	3.1732	2.2745	1.8798	0.9998	3.0237	2.3725	3.2113	4.0611	3.5591	2.8727	3.3546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.573	N1	C2	H10	109.036
N1	C2	H12	109.018	N1	C3	C4	111.274
N1	C3	H8	114.608	N1	C3	H11	108.663
C2	N1	C3	114.867	C2	N1	H7	109.051
C3	N1	H7	109.286	C3	C4	O5	113.566
C3	C4	O6	123.447	C4	C3	H8	108.285
C4	C3	H11	106.579	C4	O5	H13	104.285
O5	C4	O6	122.970	H8	C3	H11	107.054
H9	C2	H10	108.601	H9	C2	H12	108.392
H10	C2	H12	108.082

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: BLYP/aug-cc-pVDZ

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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Number	Element	Mulliken
1	N	-0.202
2	C	1.218
3	C	1.001
4	C	0.595
5	O	-0.349
6	O	-0.487
7	H	-0.094
8	H	-0.397
9	H	-0.272
10	H	-0.458
11	H	-0.355
12	H	-0.368
13	H	0.168

	x	y	z	Total
	5.480	-0.230	-0.661	5.524
CHELPG
AIM
ESP

	x	y	z
x	11.005	0.277	0.053
y	0.277	8.853	0.020
z	0.053	0.020	6.852

<r²>	198.590
(<r²>)^1/2	14.092

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)