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	hartrees
Energy at 0K	-603.446675
Energy at 298.15K	-603.454487
Nuclear repulsion energy	224.901756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3701	3571	54.37
2	A	3612	3486	56.19
3	A	3558	3433	19.92
4	A	3540	3416	2.43
5	A	3447	3326	2.04
6	A	1662	1604	13.43
7	A	1601	1545	187.74
8	A	1516	1463	255.03
9	A	1454	1403	22.77
10	A	1310	1264	1.03
11	A	1294	1249	116.80
12	A	1211	1169	3.55
13	A	1050	1013	34.63
14	A	885	854	104.93
15	A	801	773	47.65
16	A	659	636	12.48
17	A	595	574	143.07
18	A	526	508	19.89
19	A	510	492	20.81
20	A	401	387	88.56
21	A	386	373	15.11
22	A	324	313	87.49
23	A	277	267	30.00
24	A	116	112	5.53

Atom	x (Å)	y (Å)	z (Å)
H1	-0.582	-1.709	-0.008
N2	-0.858	-0.737	-0.101
S3	1.758	-0.329	0.018
C4	0.159	0.165	-0.026
H5	-1.125	1.748	-0.313
H6	0.541	2.135	-0.085
N7	-0.215	1.474	0.043
H8	-2.591	0.013	-0.746
H9	-2.348	0.142	0.893
N10	-2.209	-0.458	0.076

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0144	2.7169	2.0158	3.5129	4.0053	3.2042	2.7470	2.7120	2.0541
N2	1.0144		2.6506	1.3623	2.5088	3.1948	2.3071	1.9955	1.9951	1.3909
S3	2.7169	2.6506		1.6739	3.5687	2.7500	2.6731	4.4290	4.2242	3.9696
C4	2.0158	1.3623	1.6739		2.0585	2.0070	1.3628	2.8473	2.6702	2.4512
H5	3.5129	2.5088	3.5687	2.0585		1.7252	1.0145	2.3127	2.3515	2.4888
H6	4.0053	3.1948	2.7500	2.0070	1.7252		1.0126	3.8404	3.6428	3.7828
N7	3.2042	2.3071	2.6731	1.3628	1.0145	1.0126		2.8983	2.6537	2.7761
H8	2.7470	1.9955	4.4290	2.8473	2.3127	3.8404	2.8983		1.6622	1.0219
H9	2.7120	1.9951	4.2242	2.6702	2.3515	3.6428	2.6537	1.6622		1.0227
N10	2.0541	1.3909	3.9696	2.4512	2.4888	3.7828	2.7761	1.0219	1.0227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	115.237	H1	N2	N10	116.421
N2	C4	S3	121.272	N2	C4	N7	115.690
N2	N10	H8	110.660	N2	N10	H9	110.578
S3	C4	N7	123.019	C4	N2	N10	125.819
C4	N7	H5	119.251	C4	N7	H6	114.520
H5	N7	H6	116.661	H8	N10	H9	108.772

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B3PW91/cc-pVDZ

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	0.134
2	N	-0.129
3	S	-0.332
4	C	0.100
5	H	0.085
6	H	0.132
7	N	-0.106
8	H	0.120
9	H	0.116
10	N	-0.121

	x	y	z	Total
	-4.629	2.584	-0.602	5.335
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	160.607
(<r²>)^1/2	12.673

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)