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	hartrees
Energy at 0K	-602.252700
Energy at 298.15K	-602.260413
HF Energy	-601.611735
Nuclear repulsion energy	225.995944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3880	3592	98.05
2	A'	3752	3473	39.12
3	A'	3734	3457	122.77
4	A'	3621	3353	2.85
5	A'	1800	1667	62.07
6	A'	1717	1590	275.46
7	A'	1641	1519	241.96
8	A'	1551	1436	43.03
9	A'	1376	1274	264.10
10	A'	1266	1172	29.66
11	A'	1088	1008	60.95
12	A'	1012	937	113.99
13	A'	868	804	59.89
14	A'	540	500	1.60
15	A'	418	387	1.74
16	A'	321	297	12.20
17	A"	3714	3438	7.79
18	A"	1391	1288	0.89
19	A"	716	663	0.36
20	A"	640	593	1.72
21	A"	518	480	46.94
22	A"	416	385	354.16
23	A"	218	202	49.98
24	A"	27	25	20.06

Atom	x (Å)	y (Å)	z (Å)
H1	0.665	-1.651	0.000
N2	-0.169	-1.090	0.000
S3	1.538	0.915	0.000
C4	0.000	0.251	0.000
H5	-2.018	0.516	0.000
H6	-1.048	1.969	0.000
N7	-1.124	0.971	0.000
H8	-1.553	-2.240	0.823
H9	-1.553	-2.240	-0.823
N10	-1.437	-1.665	0.000

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0048	2.7105	2.0149	3.4486	4.0046	3.1740	2.4380	2.4380	2.1015
N2	1.0048		2.6332	1.3516	2.4492	3.1826	2.2716	1.9788	1.9788	1.3922
S3	2.7105	2.6332		1.6755	3.5787	2.7930	2.6627	4.4929	4.4929	3.9378
C4	2.0149	1.3516	1.6755		2.0354	2.0123	1.3347	3.0484	3.0484	2.3949
H5	3.4486	2.4492	3.5787	2.0354		1.7468	1.0034	2.9129	2.9129	2.2571
H6	4.0046	3.1826	2.7930	2.0123	1.7468		1.0005	4.3176	4.3176	3.6545
N7	3.1740	2.2716	2.6627	1.3347	1.0034	1.0005		3.3420	3.3420	2.6546
H8	2.4380	1.9788	4.4929	3.0484	2.9129	4.3176	3.3420		1.6458	1.0103
H9	2.4380	1.9788	4.4929	3.0484	2.9129	4.3176	3.3420	1.6458		1.0103
N10	2.1015	1.3922	3.9378	2.3949	2.2571	3.6545	2.6546	1.0103	1.0103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.769	H1	N2	N10	121.660
N2	C4	S3	120.515	N2	C4	N7	115.474
N2	N10	H8	109.884	N2	N10	H9	109.884
S3	C4	N7	124.012	C4	N2	N10	121.571
C4	N7	H5	120.376	C4	N7	H6	118.315
H5	N7	H6	121.309	H8	N10	H9	109.076

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: CISD/6-31G*

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 CH5N3S (Hydrazinecarbothioamide)

using model chemistry: CISD/6-31G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)