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	hartrees
Energy at 0K	-322.843879
Energy at 298.15K
HF Energy	-321.869504
Nuclear repulsion energy	243.999608

Atom	x (Å)	y (Å)	z (Å)
N1	1.196	0.276	-0.303
C2	2.538	-0.078	0.150
C3	0.175	-0.701	0.058
C4	-1.217	-0.072	0.021
O5	-1.204	1.264	0.117
O6	-2.228	-0.721	-0.048
H7	1.204	0.391	-1.309
H8	0.156	-1.607	-0.552
H9	2.876	-1.058	-0.203
H10	3.241	0.676	-0.196
H11	0.348	-1.011	1.090
H12	2.557	-0.083	1.238
H13	-0.271	1.526	0.131

	N1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.4604	1.4581	2.4596	2.6283	3.5751	1.0122	2.1661	2.1483	2.0870	2.0780	2.0880	1.9746
C2	1.4604		2.4450	3.7576	3.9751	4.8131	2.0318	2.9167	1.0948	1.0875	2.5594	1.0886	3.2342
C3	1.4581	2.4450		1.5283	2.4008	2.4056	2.0290	1.0928	2.7368	3.3703	1.0920	2.7290	2.2717
C4	2.4596	3.7576	1.5283		1.3395	1.2030	2.8011	2.1377	4.2166	4.5262	2.1153	3.9658	1.8607
O5	2.6283	3.9751	2.4008	1.3395		2.2398	2.9310	3.2462	4.7051	4.4946	2.9206	4.1491	0.9693
O6	3.5751	4.8131	2.4056	1.2030	2.2398		3.8215	2.5923	5.1175	5.6467	2.8310	4.9957	2.9853
H7	1.0122	2.0318	2.0290	2.8011	2.9310	3.8215		2.3800	2.4740	2.3391	2.9076	2.9232	2.3526
H8	2.1661	2.9167	1.0928	2.1377	3.2462	2.5923	2.3800		2.7975	3.8549	1.7578	3.3608	3.2347
H9	2.1483	1.0948	2.7368	4.2166	4.7051	5.1175	2.4740	2.7975		1.7717	2.8399	1.7684	4.0852
H10	2.0870	1.0875	3.3703	4.5262	4.4946	5.6467	2.3391	3.8549	1.7717		3.5876	1.7613	3.6280
H11	2.0780	2.5594	1.0920	2.1153	2.9206	2.8310	2.9076	1.7578	2.8399	3.5876		2.4004	2.7817
H12	2.0880	1.0886	2.7290	3.9658	4.1491	4.9957	2.9232	3.3608	1.7684	1.7613	2.4004		3.4367
H13	1.9746	3.2342	2.2717	1.8607	0.9693	2.9853	2.3526	3.2347	4.0852	3.6280	2.7817	3.4367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	H9	113.662	N1	C2	H10	109.117
N1	C2	H12	109.121	N1	C3	C4	110.873
N1	C3	H8	115.498	N1	C3	H11	108.294
C2	N1	C3	113.811	C2	N1	H7	109.172
C3	N1	H7	109.110	C3	C4	O5	113.517
C3	C4	O6	123.026	C4	C3	H8	108.140
C4	C3	H11	106.469	C4	O5	H13	106.288
O5	C4	O6	123.424	H8	C3	H11	107.137
H9	C2	H10	108.552	H9	C2	H12	108.174
H10	C2	H12	108.070

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for CH₃NHCH₂COOH (Sarcosine)