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	hartrees
Energy at 0K	-606.164102
Energy at 298.15K	-606.170083
Nuclear repulsion energy	274.198174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3201	3153	2.46
2	A	3172	3125	0.42
3	A	3093	3047	6.03
4	A	3062	3016	3.62
5	A	2988	2944	14.53
6	A	1554	1531	50.32
7	A	1486	1463	38.46
8	A	1421	1399	11.41
9	A	1406	1384	11.69
10	A	1371	1351	23.25
11	A	1336	1316	4.02
12	A	1214	1196	1.15
13	A	1124	1107	1.82
14	A	1012	997	5.14
15	A	972	958	13.74
16	A	945	931	6.76
17	A	893	879	27.78
18	A	826	814	16.30
19	A	771	760	52.01
20	A	694	683	8.73
21	A	674	663	1.23
22	A	644	634	0.00
23	A	556	548	1.12
24	A	487	480	2.10
25	A	328	323	3.14
26	A	230	227	5.36
27	A	126	124	0.80

Atom	x (Å)	y (Å)	z (Å)
H1	1.567	2.028	-0.000
C2	-0.951	-0.031	-0.000
C3	0.906	1.156	-0.000
H4	-2.863	0.315	0.887
H5	-2.728	-1.233	-0.001
H6	-2.863	0.316	-0.886
C7	-2.425	-0.174	0.000
S8	1.559	-0.447	0.000
N9	-0.393	1.217	-0.000
H10	-0.237	-2.133	-0.000
C11	-0.041	-1.060	-0.000

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.2524	1.0931	4.8310	5.3921	4.8306	4.5588	2.4749	2.1203	4.5346	3.4807
C2	3.2524		2.2048	2.1356	2.1450	2.1355	1.4809	2.5439	1.3678	2.2194	1.3734
C3	1.0931	2.2048		3.9623	4.3494	3.9621	3.5875	1.7313	1.3005	3.4823	2.4101
H4	4.8310	2.1356	3.9623		1.7891	1.7733	1.1034	4.5733	2.7751	3.6975	3.2619
H5	5.3921	2.1450	4.3494	1.7891		1.7891	1.1008	4.3581	3.3847	2.6486	2.6930
H6	4.8306	2.1355	3.9621	1.7733	1.7891		1.1034	4.5735	2.7747	3.6980	3.2622
C7	4.5588	1.4809	3.5875	1.1034	1.1008	1.1034		3.9930	2.4632	2.9364	2.5434
S8	2.4749	2.5439	1.7313	4.5733	4.3581	4.5735	3.9930		2.5649	2.4628	1.7126
N9	2.1203	1.3678	1.3005	2.7751	3.3847	2.7747	2.4632	2.5649		3.3536	2.3041
H10	4.5346	2.2194	3.4823	3.6975	2.6486	3.6980	2.9364	2.4628	3.3536		1.0908
C11	3.4807	1.3734	2.4101	3.2619	2.6930	3.2622	2.5434	1.7126	2.3041	1.0908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	120.710	H1	C3	N9	124.476
C2	C7	H4	110.600	C2	C7	H5	111.524
C2	C7	H6	110.598	C2	N9	C3	111.410
C2	C11	S8	110.562	C2	C11	H10	128.112
C3	S8	C11	88.822	H4	C7	H5	108.518
H4	C7	H6	106.934	H5	C7	H6	108.520
C7	C2	N9	119.637	C7	C2	C11	125.972
S8	C3	N9	114.814	S8	C11	H10	121.326
N9	C2	C11	114.391

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

using model chemistry: LSDA/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	-0.036
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	-1.357	0.000	1.368
CHELPG
AIM
ESP

	x	y	z
x	13.268	-0.425	-0.000
y	-0.425	11.051	-0.000
z	-0.000	-0.000	6.881

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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