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	hartrees
Energy at 0K	-607.186277
Energy at 298.15K
HF Energy	-606.341933
Nuclear repulsion energy	273.392638

Atom	x (Å)	y (Å)	z (Å)
H1	1.558	2.017	0.000
C2	-0.958	-0.043	-0.000
C3	0.905	1.155	0.000
H4	-2.872	0.303	0.882
H5	-2.743	-1.228	-0.001
H6	-2.872	0.305	-0.880
C7	-2.449	-0.179	0.000
S8	1.574	-0.443	-0.000
N9	-0.401	1.226	-0.000
H10	-0.222	-2.124	0.000
C11	-0.036	-1.062	0.000

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.2520	1.0812	4.8309	5.3880	4.8301	4.5693	2.4606	2.1127	4.5075	3.4669
C2	3.2520		2.2155	2.1349	2.1424	2.1348	1.4969	2.5640	1.3861	2.2079	1.3746
C3	1.0812	2.2155		3.9710	4.3578	3.9705	3.6099	1.7329	1.3083	3.4676	2.4084
H4	4.8309	2.1349	3.9710		1.7717	1.7620	1.0900	4.5934	2.7809	3.7001	3.2684
H5	5.3880	2.1424	4.3578	1.7717		1.7717	1.0893	4.3881	3.3923	2.6764	2.7127
H6	4.8301	2.1348	3.9705	1.7620	1.7717		1.0900	4.5938	2.7799	3.7015	3.2693
C7	4.5693	1.4969	3.6099	1.0900	1.0893	1.0900		4.0319	2.4836	2.9574	2.5698
S8	2.4606	2.5640	1.7329	4.5934	4.3881	4.5938	4.0319		2.5865	2.4596	1.7244
N9	2.1127	1.3861	1.3083	2.7809	3.3923	2.7799	2.4836	2.5865		3.3553	2.3171
H10	4.5075	2.2079	3.4676	3.7001	2.6764	3.7015	2.9574	2.4596	3.3553		1.0786
C11	3.4669	1.3746	2.4084	3.2684	2.7127	3.2693	2.5698	1.7244	2.3171	1.0786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	120.158	H1	C3	N9	124.024
C2	C7	H4	110.244	C2	C7	H5	110.886
C2	C7	H6	110.240	C2	N9	C3	110.588
C2	C11	S8	111.150	C2	C11	H10	127.911
C3	S8	C11	88.310	H4	C7	H5	108.770
H4	C7	H6	107.853	H5	C7	H6	108.773
C7	C2	N9	118.916	C7	C2	C11	126.950
S8	C3	N9	115.818	S8	C11	H10	120.940
N9	C2	C11	114.134

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

using model chemistry: MP2/6-31+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: MP2/6-31+G**

States and conformations

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