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	hartrees
Energy at 0K	-606.377547
Energy at 298.15K	-606.384004
Nuclear repulsion energy	274.395734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3417	3112	2.93
2	A	3381	3079	1.48
3	A	3265	2973	22.32
4	A	3243	2953	19.44
5	A	3179	2894	29.00
6	A	1746	1590	54.46
7	A	1634	1488	41.18
8	A	1584	1442	9.50
9	A	1573	1432	6.08
10	A	1522	1386	3.31
11	A	1455	1325	22.07
12	A	1350	1229	1.27
13	A	1248	1137	6.80
14	A	1151	1048	1.84
15	A	1097	999	5.81
16	A	1016	925	20.08
17	A	952	867	26.82
18	A	926	843	37.23
19	A	894	814	5.71
20	A	826	752	23.45
21	A	720	656	1.94
22	A	707	644	0.75
23	A	590	538	2.26
24	A	512	467	5.97
25	A	355	323	2.69
26	A	251	229	4.86
27	A	163	148	0.54

Atom	x (Å)	y (Å)	z (Å)
H1	1.541	2.020	-0.001
C2	-0.943	-0.047	-0.000
C3	0.900	1.152	0.000
H4	-2.853	0.327	0.881
H5	-2.747	-1.206	-0.001
H6	-2.853	0.329	-0.880
C7	-2.437	-0.163	0.000
S8	1.564	-0.445	0.000
N9	-0.375	1.216	-0.000
H10	-0.259	-2.121	-0.000
C11	-0.057	-1.064	-0.000

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.2315	1.0790	4.7906	5.3659	4.7899	4.5378	2.4651	2.0778	4.5145	3.4733
C2	3.2315		2.1987	2.1365	2.1442	2.1365	1.4990	2.5380	1.3852	2.1831	1.3484
C3	1.0790	2.1987		3.9423	4.3429	3.9420	3.5870	1.7294	1.2767	3.4714	2.4137
H4	4.7906	2.1365	3.9423		1.7713	1.7607	1.0901	4.5693	2.7761	3.6736	3.2445
H5	5.3659	2.1442	4.3429	1.7713		1.7713	1.0881	4.3775	3.3901	2.6512	2.6938
H6	4.7899	2.1365	3.9420	1.7607	1.7713		1.0901	4.5697	2.7755	3.6744	3.2450
C7	4.5378	1.4990	3.5870	1.0901	1.0881	1.0901		4.0111	2.4809	2.9290	2.5452
S8	2.4651	2.5380	1.7294	4.5693	4.3775	4.5697	4.0111		2.5532	2.4755	1.7350
N9	2.0778	1.3852	1.2767	2.7761	3.3901	2.7755	2.4809	2.5532		3.3386	2.3022
H10	4.5145	2.1831	3.4714	3.6736	2.6512	3.6744	2.9290	2.4755	3.3386		1.0756
C11	3.4733	1.3484	2.4137	3.2445	2.6938	3.2450	2.5452	1.7350	2.3022	1.0756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	120.990	H1	C3	N9	123.557
C2	C7	H4	110.214	C2	C7	H5	110.958
C2	C7	H6	110.215	C2	N9	C3	111.313
C2	C11	S8	110.168	C2	C11	H10	128.130
C3	S8	C11	88.329	H4	C7	H5	108.821
H4	C7	H6	107.731	H5	C7	H6	108.824
C7	C2	N9	118.616	C7	C2	C11	126.647
S8	C3	N9	115.453	S8	C11	H10	121.702
N9	C2	C11	114.737

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

using model chemistry: HF/aug-cc-pVDZ

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	-0.243
2	C	0.011
3	C	0.272
4	H	0.037
5	H	-0.079
6	H	0.037
7	C	0.440
8	S	0.455
9	N	-0.734
10	H	-0.419
11	C	0.222

	x	y	z	Total
	0.087	-1.143	-0.000	1.146
CHELPG
AIM
ESP

<r²>	178.982
(<r²>)^1/2	13.378

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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