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	hartrees
Energy at 0K	-602.249952
Energy at 298.15K	-602.257691
HF Energy	-601.611771
Nuclear repulsion energy	226.075629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3884	3587	98.98
2	A'	3756	3469	39.75
3	A'	3738	3453	124.36
4	A'	3628	3351	2.97
5	A'	1802	1664	63.70
6	A'	1719	1588	279.57
7	A'	1643	1518	245.22
8	A'	1553	1434	43.22
9	A'	1378	1272	267.35
10	A'	1268	1172	28.85
11	A'	1090	1007	62.30
12	A'	1012	935	114.81
13	A'	869	803	61.30
14	A'	541	499	1.70
15	A'	419	387	1.73
16	A'	321	297	12.19
17	A"	3721	3437	8.16
18	A"	1391	1284	0.88
19	A"	717	663	0.35
20	A"	641	592	1.88
21	A"	520	480	50.99
22	A"	416	384	356.01
23	A"	220	204	45.02
24	A"	36	33	20.08

Atom	x (Å)	y (Å)	z (Å)
H1	0.664	-1.651	0.000
N2	-0.169	-1.090	0.000
S3	1.538	0.914	0.000
C4	0.000	0.251	0.000
H5	-2.017	0.516	0.000
H6	-1.047	1.968	0.000
N7	-1.123	0.971	0.000
H8	-1.554	-2.239	0.822
H9	-1.554	-2.239	-0.822
N10	-1.436	-1.665	0.000

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0046	2.7095	2.0142	3.4481	4.0034	3.1730	2.4380	2.4380	2.1007
N2	1.0046		2.6322	1.3510	2.4488	3.1817	2.2708	1.9789	1.9789	1.3917
S3	2.7095	2.6322		1.6748	3.5774	2.7915	2.6614	4.4922	4.4922	3.9364
C4	2.0142	1.3510	1.6748		2.0348	2.0116	1.3341	3.0482	3.0482	2.3941
H5	3.4481	2.4488	3.5774	2.0348		1.7464	1.0032	2.9130	2.9130	2.2573
H6	4.0034	3.1817	2.7915	2.0116	1.7464		1.0004	4.3172	4.3172	3.6540
N7	3.1730	2.2708	2.6614	1.3341	1.0032	1.0004		3.3418	3.3418	2.6542
H8	2.4380	1.9789	4.4922	3.0482	2.9130	4.3172	3.3418		1.6443	1.0099
H9	2.4380	1.9789	4.4922	3.0482	2.9130	4.3172	3.3418	1.6443		1.0099
N10	2.1007	1.3917	3.9364	2.3941	2.2573	3.6540	2.6542	1.0099	1.0099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.767	H1	N2	N10	121.644
N2	C4	S3	120.518	N2	C4	N7	115.491
N2	N10	H8	109.956	N2	N10	H9	109.956
S3	C4	N7	123.991	C4	N2	N10	121.588
C4	N7	H5	120.392	C4	N7	H6	118.314
H5	N7	H6	121.294	H8	N10	H9	108.988

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)