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	hartrees
Energy at 0K	-568.088802
Energy at 298.15K
HF Energy	-567.316857
Nuclear repulsion energy	202.803618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3278	3164
2	A'	3243	3130
3	A'	3240	3127
4	A'	1502	1450
5	A'	1418	1369
6	A'	1343	1297
7	A'	1249	1205
8	A'	1143	1103
9	A'	1052	1015
10	A'	880	850
11	A'	872	842
12	A'	757	730
13	A'	610	589
14	A"	876	845
15	A"	794	766
16	A"	719	694
17	A"	605	583
18	A"	461	445

Atom	x (Å)	y (Å)
S1	0.000	1.200
C2	-1.205	-0.069
C3	1.229	-0.026
N4	-0.744	-1.305
C5	0.642	-1.279
H6	-2.272	0.178
H7	2.292	0.224
H8	1.194	-2.224

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7501	1.7367	2.6136	2.5613	2.4910	2.4912	3.6262
C2	1.7501		2.4352	1.3198	2.2085	1.0947	3.5098	3.2250
C3	1.7367	2.4352		2.3517	1.3840	3.5072	1.0919	2.1978
N4	2.6136	1.3198	2.3517		1.3861	2.1295	3.3999	2.1446
C5	2.5613	2.2085	1.3840	1.3861		3.2578	2.2329	1.0940
H6	2.4910	1.0947	3.5072	2.1295	3.2578		4.5642	4.2167
H7	2.4912	3.5098	1.0919	3.3999	2.2329	4.5642		2.6835
H8	3.6262	3.2250	2.1978	2.1446	1.0940	4.2167	2.6835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	116.018	S1	C2	H6	120.484
S1	C3	C5	109.801	S1	C3	H7	121.785
C2	S1	C3	88.596	C2	N4	C5	109.385
C3	C5	N4	116.199	C3	C5	H8	124.563
N4	C2	H6	123.498	N4	C5	H8	119.238
C5	C3	H7	128.414

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: MP4=FULL/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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All results from a given calculation for C3H3NS (Thiazole)

using model chemistry: MP4=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)