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	hartrees
Energy at 0K	-607.199695
Energy at 298.15K
HF Energy	-606.337727
Nuclear repulsion energy	273.429542

Atom	x (Å)	y (Å)	z (Å)
H1	1.544	2.018	0.000
C2	-0.953	-0.046	-0.000
C3	0.898	1.155	0.000
H4	-2.868	0.304	0.880
H5	-2.743	-1.225	-0.001
H6	-2.869	0.306	-0.878
C7	-2.446	-0.179	0.000
S8	1.575	-0.444	-0.000
N9	-0.396	1.229	0.000
H10	-0.233	-2.119	0.000
C11	-0.042	-1.061	0.000

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.2399	1.0782	4.8153	5.3762	4.8146	4.5551	2.4627	2.0949	4.5030	3.4642
C2	3.2399		2.2065	2.1371	2.1439	2.1371	1.4991	2.5584	1.3912	2.1946	1.3637
C3	1.0782	2.2065		3.9607	4.3504	3.9602	3.6003	1.7365	1.2964	3.4641	2.4076
H4	4.8153	2.1371	3.9607		1.7688	1.7580	1.0888	4.5908	2.7827	3.6869	3.2598
H5	5.3762	2.1439	4.3504	1.7688		1.7688	1.0876	4.3880	3.3957	2.6654	2.7063
H6	4.8146	2.1371	3.9602	1.7580	1.7688		1.0888	4.5911	2.7817	3.6883	3.2606
C7	4.5551	1.4991	3.6003	1.0888	1.0876	1.0888		4.0292	2.4866	2.9435	2.5606
S8	2.4627	2.5584	1.7365	4.5908	4.3880	4.5911	4.0292		2.5851	2.4640	1.7304
N9	2.0949	1.3912	1.2964	2.7827	3.3957	2.7817	2.4866	2.5851		3.3521	2.3173
H10	4.5030	2.1946	3.4641	3.6869	2.6654	3.6883	2.9435	2.4640	3.3521		1.0750
C11	3.4642	1.3637	2.4076	3.2598	2.7063	3.2606	2.5606	1.7304	2.3173	1.0750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	120.261	H1	C3	N9	123.556
C2	C7	H4	110.339	C2	C7	H5	110.955
C2	C7	H6	110.336	C2	N9	C3	110.324
C2	C11	S8	111.004	C2	C11	H10	127.899
C3	S8	C11	87.967	H4	C7	H5	108.724
H4	C7	H6	107.675	H5	C7	H6	108.727
C7	C2	N9	118.660	C7	C2	C11	126.818
S8	C3	N9	116.183	S8	C11	H10	121.096
N9	C2	C11	114.522

All results from a given calculation for C₄H₅NS (4-Methylthiazole)

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 C4H5NS (4-Methylthiazole)

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

States and conformations

All results from a given calculation for C₄H₅NS (4-Methylthiazole)