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	hartrees
Energy at 0K	-603.519897
Energy at 298.15K	-603.527252
HF Energy	-603.519897
Nuclear repulsion energy	224.068884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3679	3626	71.71
2	A	3508	3457	16.13
3	A	3502	3451	41.51
4	A	3488	3438	3.09
5	A	3398	3350	5.07
6	A	1661	1637	30.70
7	A	1567	1545	216.88
8	A	1470	1449	157.16
9	A	1415	1395	32.46
10	A	1279	1261	1.92
11	A	1261	1243	197.13
12	A	1130	1114	37.07
13	A	980	966	33.14
14	A	870	858	83.15
15	A	799	788	54.63
16	A	648	639	2.38
17	A	586	578	4.38
18	A	505	498	4.50
19	A	483	476	26.27
20	A	382	376	47.52
21	A	366	361	149.77
22	A	289	285	19.91
23	A	134	132	46.04
24	A	67	66	34.21

Atom	x (Å)	y (Å)	z (Å)
H1	-0.610	-1.677	0.031
N2	-0.865	-0.702	-0.077
S3	1.765	-0.361	0.015
C4	0.175	0.189	-0.018
H5	-1.162	1.742	-0.037
H6	0.547	2.184	-0.007
N7	-0.182	1.491	-0.001
H8	-2.604	-0.583	0.916
H9	-2.746	-0.643	-0.737
N10	-2.198	-0.272	0.035

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0137	2.7150	2.0257	3.4643	4.0310	3.1973	2.4411	2.4948	2.1214
N2	1.0137		2.6536	1.3716	2.4625	3.2138	2.2985	2.0062	1.9944	1.4057
S3	2.7150	2.6536		1.6826	3.6046	2.8220	2.6877	4.4666	4.5820	3.9645
C4	2.0257	1.3716	1.6826		2.0492	2.0289	1.3501	3.0323	3.1217	2.4188
H5	3.4643	2.4625	3.6046	2.0492		1.7650	1.0118	2.8975	2.9473	2.2658
H6	4.0310	3.2138	2.8220	2.0289	1.7650		1.0057	4.2939	4.4006	3.6833
N7	3.1973	2.2985	2.6877	1.3501	1.0118	1.0057		3.3182	3.4158	2.6782
H8	2.4411	2.0062	4.4666	3.0323	2.8975	4.2939	3.3182		1.6606	1.0189
H9	2.4948	1.9944	4.5820	3.1217	2.9473	4.4006	3.4158	1.6606		1.0170
N10	2.1214	1.4057	3.9645	2.4188	2.2658	3.6833	2.6782	1.0189	1.0170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	115.448	H1	N2	N10	121.682
N2	C4	S3	120.311	N2	C4	N7	115.237
N2	N10	H8	110.664	N2	N10	H9	109.775
S3	C4	N7	124.449	C4	N2	N10	121.123
C4	N7	H5	119.678	C4	N7	H6	118.172
H5	N7	H6	122.055	H8	N10	H9	109.310

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B97D3/TZVP

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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Number	Element	Mulliken
1	H	0.241
2	N	-0.191
3	S	-0.327
4	C	0.045
5	H	0.241
6	H	0.248
7	N	-0.314
8	H	0.227
9	H	0.232
10	N	-0.402

	x	y	z	Total
	-5.630	0.457	0.209	5.652
CHELPG
AIM
ESP

	x	y	z
x	12.409	-0.661	0.024
y	-0.661	8.294	-0.031
z	0.024	-0.031	5.219

<r²>	162.532
(<r²>)^1/2	12.749

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)