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	hartrees
Energy at 0K	-45.227042
Energy at 298.15K	-45.233073
HF Energy	-44.459317
Nuclear repulsion energy	108.664812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3281	3115	1.18
2	A	3261	3096	0.64
3	A	3197	3036	18.01
4	A	3186	3025	16.78
5	A	3092	2935	27.62
6	A	1566	1487	12.87
7	A	1508	1432	13.49
8	A	1498	1423	8.48
9	A	1445	1372	12.81
10	A	1425	1353	42.48
11	A	1369	1300	10.58
12	A	1258	1194	0.94
13	A	1180	1120	2.93
14	A	1074	1020	2.49
15	A	1026	974	6.72
16	A	947	899	21.03
17	A	913	867	22.00
18	A	861	817	13.53
19	A	796	756	69.26
20	A	712	676	2.64
21	A	682	647	1.18
22	A	637	605	0.01
23	A	556	528	1.72
24	A	479	455	1.86
25	A	324	307	2.67
26	A	235	223	5.65
27	A	133	126	0.58

Atom	x (Å)	y (Å)	z (Å)
H1	-2.132	-1.703	0.000
C2	0.659	0.012	0.000
C3	-1.365	-0.924	0.000
H4	2.542	-0.570	0.893
H5	2.597	0.987	-0.001
H6	2.542	-0.571	-0.893
C7	2.177	-0.033	-0.000
S8	-1.808	0.767	-0.000
N9	-0.060	-1.177	0.000
H10	0.211	2.216	0.000
C11	-0.124	1.177	0.000

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.2757	1.0932	4.8912	5.4401	4.8907	4.6204	2.4909	2.1370	4.5655	3.5106
C2	3.2757		2.2301	2.1633	2.1691	2.1633	1.5178	2.5799	1.3899	2.2490	1.4044
C3	1.0932	2.2301		4.0234	4.3986	4.0231	3.6519	1.7472	1.3294	3.5127	2.4397
H4	4.8912	2.1633	4.0234		1.7956	1.7855	1.1042	4.6372	2.8174	3.7402	3.3104
H5	5.4401	2.1691	4.3986	1.7956		1.7956	1.1030	4.4102	3.4270	2.6839	2.7282
H6	4.8907	2.1633	4.0231	1.7855	1.7956		1.1041	4.6370	2.8169	3.7407	3.3108
C7	4.6204	1.5178	3.6519	1.1042	1.1030	1.1041		4.0636	2.5124	2.9865	2.5998
S8	2.4909	2.5799	1.7472	4.6372	4.4102	4.6370	4.0636		2.6139	2.4849	1.7325
N9	2.1370	1.3899	1.3294	2.8174	3.4270	2.8169	2.5124	2.6139		3.4038	2.3554
H10	4.5655	2.2490	3.5127	3.7402	2.6839	3.7407	2.9865	2.4849	3.4038		1.0913
C11	3.5106	1.4044	2.4397	3.3104	2.7282	3.3108	2.5998	1.7325	2.3554	1.0913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	120.813	H1	C3	N9	123.511
C2	C7	H4	110.189	C2	C7	H5	110.719
C2	C7	H6	110.191	C2	N9	C3	110.174
C2	C11	S8	110.219	C2	C11	H10	128.170
C3	S8	C11	89.035	H4	C7	H5	108.887
H4	C7	H6	107.907	H5	C7	H6	108.883
C7	C2	N9	119.487	C7	C2	C11	125.617
S8	C3	N9	115.675	S8	C11	H10	121.611
N9	C2	C11	114.896

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

using model chemistry: MP2/CEP-31G*

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/CEP-31G*

States and conformations

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