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	hartrees
Energy at 0K	-606.164102
Energy at 298.15K	-606.170085
HF Energy	-606.164102
Nuclear repulsion energy	274.191608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3201	3153	2.47
2	A	3172	3125	0.35
3	A	3093	3047	5.94
4	A	3062	3016	3.62
5	A	2988	2944	14.54
6	A	1555	1531	50.33
7	A	1486	1464	38.46
8	A	1421	1400	11.40
9	A	1406	1385	11.69
10	A	1371	1351	23.16
11	A	1336	1316	4.04
12	A	1214	1196	1.15
13	A	1124	1107	1.83
14	A	1012	997	5.14
15	A	972	958	13.76
16	A	945	931	6.77
17	A	893	879	27.70
18	A	826	814	16.35
19	A	771	760	52.04
20	A	694	684	8.70
21	A	673	663	1.24
22	A	644	634	0.00
23	A	556	548	1.12
24	A	487	480	2.10
25	A	328	323	3.13
26	A	230	227	5.36
27	A	127	125	0.81

Atom	x (Å)	y (Å)	z (Å)
H1	-1.558	2.006	-0.000
C2	0.944	-0.001	-0.001
C3	-0.925	1.151	-0.001
H4	2.859	0.465	-0.776
H5	2.683	-1.211	-0.193
H6	2.828	0.133	0.971
C7	2.407	-0.166	0.000
S8	-1.540	-0.461	0.000
N9	0.371	1.204	0.001
H10	0.311	-2.078	0.000
C11	0.061	-1.044	-0.000

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.2080	1.0643	4.7427	5.3270	4.8668	4.5208	2.4669	2.0893	4.4913	3.4535
C2	3.2080		2.1954	2.1183	2.1272	2.1235	1.4716	2.5265	1.3347	2.1712	1.3667
C3	1.0643	2.1954		3.9232	4.3165	4.0072	3.5820	1.7253	1.2968	3.4571	2.4064
H4	4.7427	2.1183	3.9232		1.7834	1.7783	1.0982	4.5626	2.7095	3.6833	3.2729
H5	5.3270	2.1272	4.3165	1.7834		1.7838	1.0981	4.2939	3.3491	2.5333	2.6345
H6	4.8668	2.1235	4.0072	1.7783	1.7838		1.0995	4.5135	2.8500	3.4878	3.1594
C7	4.5208	1.4716	3.5820	1.0982	1.0981	1.0995		3.9577	2.4537	2.8368	2.5044
S8	2.4669	2.5265	1.7253	4.5626	4.2939	4.5135	3.9577		2.5347	2.4579	1.7043
N9	2.0893	1.3347	1.2968	2.7095	3.3491	2.8500	2.4537	2.5347		3.2826	2.2697
H10	4.4913	2.1712	3.4571	3.6833	2.5333	3.4878	2.8368	2.4579	3.2826		1.0634
C11	3.4535	1.3667	2.4064	3.2729	2.6345	3.1594	2.5044	1.7043	2.2697	1.0634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	122.555	H1	C3	N9	124.189
C2	C7	H4	110.186	C2	C7	H5	110.911
C2	C7	H6	110.525	C2	N9	C3	113.078
C2	C11	S8	110.228	C2	C11	H10	126.171
C3	S8	C11	89.118	H4	C7	H5	108.587
H4	C7	H6	108.029	H5	C7	H6	108.522
C7	C2	N9	121.859	C7	C2	C11	123.820
S8	C3	N9	113.255	S8	C11	H10	123.601
N9	C2	C11	114.321

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

using model chemistry: SVWN/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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Number	Element	Mulliken
1	H	0.197
2	C	-0.037
3	C	-0.111
4	H	0.210
5	H	0.181
6	H	0.210
7	C	-0.820
8	S	0.135
9	N	-0.083
10	H	0.194
11	C	-0.077

	x	y	z	Total
	-0.174	-1.356	0.000	1.368
CHELPG
AIM
ESP

	x	y	z
x	13.262	0.414	-0.001
y	0.414	11.054	-0.002
z	-0.001	-0.002	6.881

<r²>	178.669
(<r²>)^1/2	13.367

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

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

States and conformations

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