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	hartrees
Energy at 0K	-657.629539
Energy at 298.15K	-657.639294
HF Energy	-656.619808
Nuclear repulsion energy	301.825474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3719	3465	8.90
2	A	3707	3454	40.66
3	A	3698	3445	97.53
4	A	3695	3442	14.26
5	A	3612	3365	0.03
6	A	3587	3341	0.54
7	A	1758	1638	74.91
8	A	1736	1618	35.46
9	A	1621	1510	99.55
10	A	1569	1461	174.35
11	A	1421	1324	96.91
12	A	1362	1269	0.96
13	A	1337	1245	46.55
14	A	1322	1231	103.33
15	A	1228	1144	127.11
16	A	1131	1053	51.27
17	A	993	925	164.53
18	A	893	832	194.74
19	A	806	751	9.21
20	A	660	614	31.61
21	A	644	600	15.28
22	A	616	574	54.61
23	A	569	530	112.31
24	A	487	454	3.48
25	A	348	324	46.75
26	A	290	271	15.11
27	A	245	228	6.50
28	A	185	173	20.73
29	A	147	137	25.78
30	A	90	84	27.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.004	-0.209	-0.001
S2	-1.236	-1.337	0.002
N3	-0.145	1.132	0.000
N4	-1.400	1.737	0.001
N5	1.296	-0.624	-0.010
N6	2.368	0.279	0.004
H7	2.929	0.157	0.837
H8	2.947	0.159	-0.816
H9	-1.522	2.303	0.828
H10	-1.530	2.288	-0.836
H11	0.697	1.687	-0.006
H12	1.446	-1.618	0.002

	C1	S2	N3	N4	N5	N6	H7	H8	H9	H10	H11	H12
C1		1.6705	1.3486	2.3951	1.3653	2.4216	3.0726	3.0837	3.0496	3.0430	2.0215	2.0221
S2	1.6705		2.7000	3.0790	2.6310	3.9496	4.5031	4.5175	3.7437	3.7324	3.5893	2.6966
N3	1.3486	2.7000		1.3936	2.2720	2.6534	3.3314	3.3424	1.9879	1.9885	1.0080	3.1773
N4	2.3951	3.0790	1.3936		3.5844	4.0402	4.6837	4.6962	1.0097	1.0098	2.0977	4.3999
N5	1.3653	2.6310	2.2720	3.5844		1.4012	1.9984	1.9969	4.1487	4.1415	2.3876	1.0054
N6	2.4216	3.9496	2.6534	4.0402	1.4012		1.0116	1.0115	4.4611	4.4651	2.1849	2.1093
H7	3.0726	4.5031	3.3314	4.6837	1.9984	1.0116		1.6534	4.9407	5.2177	2.8343	2.4596
H8	3.0837	4.5175	3.3424	4.6962	1.9969	1.0115	1.6534		5.2218	4.9577	2.8376	2.4662
H9	3.0496	3.7437	1.9879	1.0097	4.1487	4.4611	4.9407	5.2218		1.6640	2.4490	4.9864
H10	3.0430	3.7324	1.9885	1.0098	4.1415	4.4651	5.2177	4.9577	1.6640		2.4516	4.9817
H11	2.0215	3.5893	1.0080	2.0977	2.3876	2.1849	2.8343	2.8376	2.4490	2.4516		3.3890
H12	2.0221	2.6966	3.1773	4.3999	1.0054	2.1093	2.4596	2.4662	4.9864	4.9817	3.3890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N4	121.708	C1	N3	H11	117.405
C1	N5	N6	122.158	C1	N5	H12	116.243
S2	C1	N3	126.509	S2	C1	N5	119.808
N3	C1	N5	113.683	N3	N4	H9	110.599
N3	N4	H10	110.653	N4	N3	H11	120.885
N5	N6	H7	110.801	N5	N6	H8	110.685
N6	N5	H12	121.572	H7	N6	H8	109.620
H9	N4	H10	110.968

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

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

States and conformations

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