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	hartrees
Energy at 0K	-57.950769
Energy at 298.15K	-57.960401
HF Energy	-57.438097
Nuclear repulsion energy	131.452357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3651	3528	5.94
2	A	3636	3514	107.89
3	A	3616	3494	49.04
4	A	3603	3481	3.27
5	A	3515	3396	0.48
6	A	3478	3361	0.47
7	A	1743	1684	38.42
8	A	1724	1666	31.07
9	A	1537	1485	148.28
10	A	1526	1475	168.11
11	A	1383	1337	100.66
12	A	1335	1290	0.71
13	A	1283	1240	0.28
14	A	1273	1230	191.55
15	A	1209	1168	71.05
16	A	1086	1050	65.96
17	A	951	919	94.70
18	A	841	813	256.97
19	A	732	707	21.76
20	A	683	660	197.42
21	A	599	579	32.14
22	A	586	567	25.71
23	A	496	479	124.36
24	A	452	437	1.00
25	A	337	326	70.56
26	A	268	259	8.50
27	A	230	223	39.88
28	A	229	221	6.50
29	A	168	162	0.22
30	A	113	109	21.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.018	-0.199	-0.001
S2	-1.353	-1.291	-0.000
N3	-0.065	1.186	-0.002
N4	-1.306	1.923	0.001
N5	1.332	-0.702	-0.000
N6	2.460	0.196	0.001
H7	3.020	0.115	0.857
H8	3.018	0.120	-0.858
H9	-1.848	1.686	0.845
H10	-1.849	1.692	-0.843
H11	0.796	1.737	0.003
H12	1.449	-1.719	0.001

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.7526	1.3870	2.5007	1.4069	2.4732	3.1378	3.1357	2.7840	2.7877	2.0863	2.0870
S2	1.7526		2.7914	3.2137	2.7485	4.0921	4.6727	4.6718	3.1337	3.1392	3.7126	2.8339
N3	1.3870	2.7914		1.4435	2.3483	2.7111	3.3763	3.3715	2.0368	2.0365	1.0218	3.2747
N4	2.5007	3.2137	1.4435		3.7212	4.1421	4.7657	4.7621	1.0302	1.0301	2.1095	4.5655
N5	1.4069	2.7485	2.3483	3.7212		1.4419	2.0624	2.0624	4.0659	4.0694	2.4977	1.0229
N6	2.4732	4.0921	2.7111	4.1421	1.4419		1.0268	1.0269	4.6355	4.6379	2.2678	2.1653
H7	3.1378	4.6727	3.3763	4.7657	2.0624	1.0268		1.7152	5.1155	5.3928	2.8824	2.5622
H8	3.1357	4.6718	3.3715	4.7621	2.0624	1.0269	1.7152		5.3876	5.1138	2.8798	2.5652
H9	2.7840	3.1337	2.0368	1.0302	4.0659	4.6355	5.1155	5.3876		1.6878	2.7750	4.8136
H10	2.7877	3.1392	2.0365	1.0301	4.0694	4.6379	5.3928	5.1138	1.6878		2.7767	4.8185
H11	2.0863	3.7126	1.0218	2.1095	2.4977	2.2678	2.8824	2.8798	2.7750	2.7767		3.5168
H12	2.0870	2.8339	3.2747	4.5655	1.0229	2.1653	2.5622	2.5652	4.8136	4.8185	3.5168

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	124.123	C1	N3	H11	119.245
C1	N5	N6	120.479	C1	N5	H12	117.517
S2	C1	N3	125.113	S2	C1	N5	120.498
N3	C1	N5	114.388	N3	N4	H9	109.717
N3	N4	H10	109.698	N4	N3	H11	116.631
N5	N6	H7	112.222	N5	N6	H8	112.218
N6	N5	H12	122.004	H7	N6	H8	113.266
H9	N4	H10	110.008

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

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 CH6N4S (Carbonothioic dihydrazide)

using model chemistry: MP2/CEP-31G

States and conformations

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