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	hartrees
Energy at 0K	-321.946963
Energy at 298.15K	-321.956729
Nuclear repulsion energy	245.676293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4046	3675	213.84
2	A	3748	3405	4.99
3	A	3250	2953	40.21
4	A	3223	2928	22.55
5	A	3213	2919	39.73
6	A	3182	2891	26.31
7	A	3131	2845	73.36
8	A	2044	1857	460.50
9	A	1649	1498	28.97
10	A	1627	1478	4.27
11	A	1616	1468	16.47
12	A	1607	1460	6.55
13	A	1583	1438	1.49
14	A	1535	1394	446.69
15	A	1482	1346	76.62
16	A	1402	1274	8.91
17	A	1336	1214	1.66
18	A	1290	1172	16.85
19	A	1254	1139	26.89
20	A	1223	1111	30.66
21	A	1092	992	22.92
22	A	1060	963	12.14
23	A	960	872	30.24
24	A	913	829	66.84
25	A	746	678	105.43
26	A	712	647	5.13
27	A	642	583	22.31
28	A	511	464	14.63
29	A	393	357	3.02
30	A	285	259	3.08
31	A	217	197	2.72
32	A	128	116	3.22
33	A	87	79	8.24

Atom	x (Å)	y (Å)	z (Å)
N1	1.202	0.267	-0.316
C2	2.539	-0.060	0.153
C3	0.179	-0.686	0.068
C4	-1.215	-0.075	0.022
O5	-1.245	1.242	0.115
O6	-2.191	-0.731	-0.053
H7	1.214	0.364	-1.312
H8	0.162	-1.597	-0.523
H9	2.882	-1.043	-0.171
H10	3.238	0.684	-0.210
H11	0.343	-0.977	1.101
H12	2.559	-0.034	1.237
H13	-0.353	1.564	0.135

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4541	1.4501	2.4645	2.6694	3.5463	1.0005	2.1448	2.1350	2.0805	2.0725	2.0840	2.0749
C2	1.4541		2.4433	3.7562	4.0021	4.7815	2.0202	2.9106	1.0906	1.0834	2.5620	1.0845	3.3170
C3	1.4501	2.4433		1.5223	2.3974	2.3731	2.0193	1.0863	2.7367	3.3632	1.0863	2.7305	2.3131
C4	2.4645	3.7562	1.5223		1.3209	1.1779	2.8060	2.1237	4.2138	4.5228	2.0983	3.9643	1.8554
O5	2.6694	4.0021	2.3974	1.3209		2.1940	2.9756	3.2325	4.7259	4.5290	2.9014	4.1661	0.9485
O6	3.5463	4.7815	2.3731	1.1779	2.1940		3.7918	2.5511	5.0834	5.6120	2.7948	4.9704	2.9457
H7	1.0005	2.0202	2.0193	2.8060	2.9756	3.7918		2.3612	2.4621	2.3261	2.8950	2.9091	2.4477
H8	2.1448	2.9106	1.0863	2.1237	3.2325	2.5511	2.3612		2.7979	3.8423	1.7485	3.3595	3.2700
H9	2.1350	1.0906	2.7367	4.2138	4.7259	5.0834	2.4621	2.7979		1.7641	2.8408	1.7623	4.1660
H10	2.0805	1.0834	3.3632	4.5228	4.5290	5.6120	2.3261	3.8423	1.7641		3.5861	1.7526	3.7131
H11	2.0725	2.5620	1.0863	2.0983	2.9014	2.7948	2.8950	1.7485	2.8408	3.5861		2.4119	2.8059
H12	2.0840	1.0845	2.7305	3.9643	4.1661	4.9704	2.9091	3.3595	1.7623	1.7526	2.4119		3.4994
H13	2.0749	3.3170	2.3131	1.8554	0.9485	2.9457	2.4477	3.2700	4.1660	3.7131	2.8059	3.4994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.302	N1	C2	H10	109.283
N1	C2	H12	109.500	N1	C3	C4	111.994
N1	C3	H8	114.726	N1	C3	H11	108.749
C2	N1	C3	114.559	C2	N1	H7	109.386
C3	N1	H7	109.614	C3	C4	O5	114.773
C3	C4	O6	122.494	C4	C3	H8	107.827
C4	C3	H11	105.888	C4	O5	H13	108.570
O5	C4	O6	122.703	H8	C3	H11	107.190
H9	C2	H10	108.479	H9	C2	H12	108.239
H10	C2	H12	107.892

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: HF/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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Number	Element	Mulliken
1	N	-0.540
2	C	-0.088
3	C	-0.065
4	C	0.495
5	O	-0.389
6	O	-0.437
7	H	0.204
8	H	0.128
9	H	0.082
10	H	0.102
11	H	0.131
12	H	0.101
13	H	0.277

	x	y	z	Total
	5.500	0.059	-0.362	5.513
CHELPG
AIM
ESP

	x	y	z
x	7.623	0.510	0.087
y	0.510	6.227	-0.004
z	0.087	-0.004	5.105

<r²>	193.122
(<r²>)^1/2	13.897

All results from a given calculation for CH3NHCH2COOH (Sarcosine)

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

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)