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	hartrees
Energy at 0K	-657.902994
Energy at 298.15K	-657.912639
HF Energy	-656.736117
Nuclear repulsion energy	302.669402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3643	3466	11.42
2	A	3621	3445	14.46
3	A	3603	3428	40.95
4	A	3584	3410	87.91
5	A	3536	3365	0.45
6	A	3511	3341	1.17
7	A	1703	1620	60.72
8	A	1684	1602	27.05
9	A	1562	1486	90.81
10	A	1512	1439	172.32
11	A	1376	1309	67.29
12	A	1338	1273	1.33
13	A	1314	1251	45.76
14	A	1289	1227	61.07
15	A	1199	1141	96.30
16	A	1111	1057	38.49
17	A	945	899	140.72
18	A	868	826	140.35
19	A	793	754	3.73
20	A	653	621	7.21
21	A	639	608	39.31
22	A	613	583	39.57
23	A	551	524	103.88
24	A	480	457	2.60
25	A	334	317	37.66
26	A	277	264	17.17
27	A	237	225	5.90
28	A	187	178	13.50
29	A	139	133	17.36
30	A	88	84	34.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.009	-0.211	-0.002
S2	-1.228	-1.335	0.002
N3	-0.145	1.129	0.000
N4	-1.393	1.736	0.001
N5	1.290	-0.624	-0.010
N6	2.353	0.281	0.004
H7	2.915	0.159	0.836
H8	2.934	0.159	-0.814
H9	-1.505	2.307	0.824
H10	-1.514	2.292	-0.832
H11	0.704	1.674	-0.006
H12	1.433	-1.620	0.003

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.6580	1.3466	2.3892	1.3623	2.4125	3.0637	3.0750	3.0439	3.0370	2.0155	2.0158
S2	1.6580		2.6908	3.0750	2.6160	3.9286	4.4821	4.4963	3.7442	3.7329	3.5758	2.6759
N3	1.3466	2.6908		1.3882	2.2649	2.6380	3.3172	3.3293	1.9795	1.9802	1.0097	3.1695
N4	2.3892	3.0750	1.3882		3.5731	4.0189	4.6635	4.6772	1.0090	1.0091	2.0988	4.3876
N5	1.3623	2.6160	2.2649	3.5731		1.3965	1.9922	1.9909	4.1350	4.1281	2.3712	1.0068
N6	2.4125	3.9286	2.6380	4.0189	1.3965		1.0112	1.0110	4.4343	4.4381	2.1582	2.1125
H7	3.0637	4.4821	3.3172	4.6635	1.9922	1.0112		1.6501	4.9148	5.1914	2.8092	2.4607
H8	3.0750	4.4963	3.3293	4.6772	1.9909	1.0110	1.6501		5.1967	4.9329	2.8141	2.4672
H9	3.0439	3.7442	1.9795	1.0090	4.1350	4.4343	4.9148	5.1967		1.6570	2.4440	4.9732
H10	3.0370	3.7329	1.9802	1.0091	4.1281	4.4381	5.1914	4.9329	1.6570		2.4466	4.9689
H11	2.0155	3.5758	1.0097	2.0988	2.3712	2.1582	2.8092	2.8141	2.4440	2.4466		3.3739
H12	2.0158	2.6759	3.1695	4.3876	1.0068	2.1125	2.4607	2.4672	4.9732	4.9689	3.3739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	121.761	C1	N3	H11	116.881
C1	N5	N6	121.958	C1	N5	H12	115.800
S2	C1	N3	126.844	S2	C1	N5	119.703
N3	C1	N5	113.453	N3	N4	H9	110.335
N3	N4	H10	110.389	N4	N3	H11	121.356
N5	N6	H7	110.655	N5	N6	H8	110.554
N6	N5	H12	122.215	H7	N6	H8	109.375
H9	N4	H10	110.386

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

using model chemistry: MP2/Def2TZVPP

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: MP2/Def2TZVPP

States and conformations

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