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	hartrees
Energy at 0K	-657.575334
Energy at 298.15K
HF Energy	-656.609534
Nuclear repulsion energy	301.733207

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	-0.210	-0.001
S2	-1.253	-1.332	0.002
N3	-0.128	1.133	0.000
N4	-1.366	1.770	0.001
N5	1.282	-0.639	-0.010
N6	2.360	0.255	0.004
H7	2.921	0.117	0.835
H8	2.939	0.118	-0.814
H9	-1.458	2.347	0.824
H10	-1.467	2.332	-0.832
H11	0.730	1.663	-0.006
H12	1.418	-1.635	0.002

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.6720	1.3485	2.3983	1.3644	2.4182	3.0682	3.0791	3.0510	3.0444	2.0155	2.0191
S2	1.6720		2.7099	3.1039	2.6285	3.9462	4.4960	4.5100	3.7749	3.7637	3.5921	2.6883
N3	1.3485	2.7099		1.3921	2.2647	2.6384	3.3201	3.3313	1.9801	1.9808	1.0082	3.1704
N4	2.3983	3.1039	1.3921		3.5798	4.0221	4.6693	4.6820	1.0096	1.0097	2.0983	4.3979
N5	1.3644	2.6285	2.2647	3.5798		1.4000	1.9922	1.9908	4.1375	4.1306	2.3674	1.0052
N6	2.4182	3.9462	2.6384	4.0221	1.4000		1.0117	1.0116	4.4303	4.4342	2.1544	2.1112
H7	3.0682	4.4960	3.3201	4.6693	1.9922	1.0117		1.6493	4.9139	5.1903	2.8104	2.4535
H8	3.0791	4.5100	3.3313	4.6820	1.9908	1.0116	1.6493		5.1946	4.9310	2.8142	2.4598
H9	3.0510	3.7749	1.9801	1.0096	4.1375	4.4303	4.9139	5.1946		1.6562	2.4381	4.9799
H10	3.0444	3.7637	1.9808	1.0097	4.1306	4.4342	5.1903	4.9310	1.6562		2.4406	4.9755
H11	2.0155	3.5921	1.0082	2.0983	2.3674	2.1544	2.8104	2.8142	2.4381	2.4406		3.3690
H12	2.0191	2.6883	3.1704	4.3979	1.0052	2.1112	2.4535	2.4598	4.9799	4.9755	3.3690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	122.101	C1	N3	H11	116.829
C1	N5	N6	122.029	C1	N5	H12	116.055
S2	C1	N3	127.243	S2	C1	N5	119.572
N3	C1	N5	113.185	N3	N4	H9	110.055
N3	N4	H10	110.107	N4	N3	H11	121.069
N5	N6	H7	110.355	N5	N6	H8	110.247
N6	N5	H12	121.890	H7	N6	H8	109.201
H9	N4	H10	110.212

All results from a given calculation for CH₆N₄S (Carbonothioic dihydrazide)

using model chemistry: MP3/6-31+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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All results from a given calculation for CH6N4S (Carbonothioic dihydrazide)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for CH₆N₄S (Carbonothioic dihydrazide)