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	hartrees
Energy at 0K	-322.792580
Energy at 298.15K
Nuclear repulsion energy	245.622789

Atom	x (Å)	y (Å)	z (Å)
N1	1.196	0.266	-0.323
C2	2.526	-0.066	0.163
C3	0.175	-0.694	0.054
C4	-1.214	-0.072	0.023
O5	-1.213	1.252	0.115
O6	-2.206	-0.718	-0.041
H7	1.221	0.345	-1.325
H8	0.154	-1.601	-0.547
H9	2.864	-1.056	-0.148
H10	3.234	0.672	-0.200
H11	0.346	-0.994	1.086
H12	2.531	-0.030	1.248
H13	-0.293	1.522	0.118

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4541	1.4510	2.4576	2.6394	3.5524	1.0053	2.1496	2.1356	2.0821	2.0722	2.0828	1.9975
C2	1.4541		2.4357	3.7422	3.9642	4.7808	2.0209	2.9132	1.0920	1.0851	2.5426	1.0861	3.2355
C3	1.4510	2.4357		1.5224	2.3910	2.3831	2.0185	1.0885	2.7207	3.3599	1.0883	2.7234	2.2663
C4	2.4576	3.7422	1.5224		1.3267	1.1859	2.8139	2.1299	4.1985	4.5153	2.1011	3.9402	1.8433
O5	2.6394	3.9642	2.3910	1.3267		2.2116	2.9701	3.2324	4.6923	4.4958	2.9009	4.1157	0.9589
O6	3.5524	4.7808	2.3831	1.1859	2.2116		3.8107	2.5704	5.0823	5.6172	2.8035	4.9570	2.9503
H7	1.0053	2.0209	2.0185	2.8139	2.9701	3.8107		2.3514	2.4588	2.3293	2.8931	2.9115	2.4000
H8	2.1496	2.9132	1.0885	2.1299	3.2324	2.5704	2.3514		2.7927	3.8437	1.7532	3.3678	3.2248
H9	2.1356	1.0920	2.7207	4.1985	4.6923	5.0823	2.4588	2.7927		1.7681	2.8049	1.7652	4.0849
H10	2.0821	1.0851	3.3599	4.5153	4.4958	5.6172	2.3293	3.8437	1.7681		3.5735	1.7562	3.6421
H11	2.0722	2.5426	1.0883	2.1011	2.9009	2.8035	2.8931	1.7532	2.8049	3.5735		2.3934	2.7708
H12	2.0828	1.0861	2.7234	3.9402	4.1157	4.9570	2.9115	3.3678	1.7652	1.7562	2.3934		3.4146
H13	1.9975	3.2355	2.2663	1.8433	0.9589	2.9503	2.4000	3.2248	4.0849	3.6421	2.7708	3.4146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.251	N1	C2	H10	109.305
N1	C2	H12	109.300	N1	C3	C4	111.470
N1	C3	H8	114.913	N1	C3	H11	108.543
C2	N1	C3	113.945	C2	N1	H7	109.145
C3	N1	H7	109.175	C3	C4	O5	113.941
C3	C4	O6	122.786	C4	C3	H8	108.177
C4	C3	H11	105.988	C4	O5	H13	106.398
O5	C4	O6	123.242	H8	C3	H11	107.301
H9	C2	H10	108.603	H9	C2	H12	108.274
H10	C2	H12	107.972

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

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

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)