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	hartrees
Energy at 0K	-606.399824
Energy at 298.15K	-606.406281
Nuclear repulsion energy	275.239161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3406	3095	2.87
2	A	3367	3059	2.92
3	A	3253	2955	25.67
4	A	3232	2937	24.19
5	A	3175	2884	29.03
6	A	1751	1590	52.84
7	A	1642	1492	46.96
8	A	1604	1457	7.97
9	A	1593	1447	6.58
10	A	1538	1397	3.53
11	A	1464	1330	28.12
12	A	1362	1238	1.32
13	A	1257	1142	6.98
14	A	1163	1057	2.93
15	A	1104	1003	5.77
16	A	1022	928	22.57
17	A	956	868	28.76
18	A	929	844	42.57
19	A	896	814	4.78
20	A	844	766	24.82
21	A	724	658	1.90
22	A	712	647	1.27
23	A	593	539	3.18
24	A	517	470	6.15
25	A	354	322	2.65
26	A	251	228	5.16
27	A	156	141	0.46

Atom	x (Å)	y (Å)	z (Å)
H1	1.534	2.012	-0.001
C2	-0.939	-0.049	-0.000
C3	0.896	1.148	0.000
H4	-2.845	0.325	0.877
H5	-2.745	-1.201	-0.001
H6	-2.845	0.327	-0.875
C7	-2.432	-0.163	0.000
S8	1.560	-0.444	0.000
N9	-0.374	1.213	-0.000
H10	-0.254	-2.111	-0.000
C11	-0.055	-1.060	-0.000

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.2190	1.0737	4.7743	5.3507	4.7732	4.5234	2.4558	2.0683	4.4941	3.4586
C2	3.2190		2.1909	2.1313	2.1421	2.1313	1.4976	2.5296	1.3826	2.1729	1.3427
C3	1.0737	2.1909		3.9299	4.3330	3.9294	3.5773	1.7247	1.2716	3.4563	2.4044
H4	4.7743	2.1313	3.9299		1.7630	1.7522	1.0852	4.5565	2.7687	3.6627	3.2356
H5	5.3507	2.1421	4.3330	1.7630		1.7630	1.0835	4.3707	3.3835	2.6519	2.6932
H6	4.7732	2.1313	3.9294	1.7522	1.7630		1.0852	4.5569	2.7677	3.6639	3.2363
C7	4.5234	1.4976	3.5773	1.0852	1.0835	1.0852		4.0016	2.4760	2.9218	2.5401
S8	2.4558	2.5296	1.7247	4.5565	4.3707	4.5569	4.0016		2.5462	2.4638	1.7286
N9	2.0683	1.3826	1.2716	2.7687	3.3835	2.7677	2.4760	2.5462		3.3262	2.2950
H10	4.4941	2.1729	3.4563	3.6627	2.6519	3.6639	2.9218	2.4638	3.3262		1.0698
C11	3.4586	1.3427	2.4044	3.2356	2.6932	3.2363	2.5401	1.7286	2.2950	1.0698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	120.927	H1	C3	N9	123.526
C2	C7	H4	110.194	C2	C7	H5	111.166
C2	C7	H6	110.194	C2	N9	C3	111.206
C2	C11	S8	110.266	C2	C11	H10	128.143
C3	S8	C11	88.254	H4	C7	H5	108.761
H4	C7	H6	107.674	H5	C7	H6	108.765
C7	C2	N9	118.509	C7	C2	C11	126.764
S8	C3	N9	115.547	S8	C11	H10	121.591
N9	C2	C11	114.727

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

using model chemistry: HF/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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Number	Element	Mulliken
1	H	0.133
2	C	0.104
3	C	-0.024
4	H	0.112
5	H	0.091
6	H	0.112
7	C	-0.155
8	S	0.226
9	N	-0.385
10	H	0.133
11	C	-0.348

	x	y	z	Total
	0.131	-1.084	-0.000	1.092
CHELPG
AIM
ESP

	x	y	z
x	11.438	-0.443	-0.000
y	-0.443	9.264	0.000
z	-0.000	0.000	5.096

<r²>	178.009
(<r²>)^1/2	13.342

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

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

States and conformations

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