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	hartrees
Energy at 0K	-601.481397
Energy at 298.15K	-601.489036
Nuclear repulsion energy	225.829256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3633	3606	94.30
2	A	3470	3444	12.31
3	A	3461	3435	33.27
4	A	3428	3402	47.29
5	A	3382	3356	1.48
6	A	1607	1594	79.11
7	A	1547	1536	247.56
8	A	1483	1472	147.29
9	A	1380	1370	40.19
10	A	1248	1239	134.67
11	A	1238	1228	0.34
12	A	1175	1166	24.67
13	A	1011	1003	9.97
14	A	840	833	20.50
15	A	776	770	119.95
16	A	667	662	0.02
17	A	604	599	3.11
18	A	517	513	0.62
19	A	506	502	24.18
20	A	403	400	199.32
21	A	369	366	1.78
22	A	295	292	11.46
23	A	245	243	14.93
24	A	89	88	19.03

Atom	x (Å)	y (Å)	z (Å)
H1	-0.579	-1.696	-0.000
N2	-0.851	-0.708	-0.000
S3	1.757	-0.345	-0.000
C4	0.175	0.187	-0.000
H5	-1.212	1.677	0.001
H6	0.512	2.189	0.001
N7	-0.208	1.472	-0.000
H8	-2.665	-0.585	0.842
H9	-2.665	-0.585	-0.841
N10	-2.162	-0.279	0.000

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0249	2.6982	2.0280	3.4320	4.0353	3.1898	2.5092	2.5094	2.1243
N2	1.0249		2.6334	1.3614	2.4122	3.2019	2.2732	2.0033	2.0033	1.3786
S3	2.6982	2.6334		1.6692	3.5921	2.8229	2.6760	4.5076	4.5079	3.9191
C4	2.0280	1.3614	1.6692		2.0356	2.0303	1.3409	3.0606	3.0607	2.3824
H5	3.4320	2.4122	3.5921	2.0356		1.7991	1.0252	2.8167	2.8167	2.1746
H6	4.0353	3.2019	2.8229	2.0303	1.7991		1.0161	4.3009	4.3010	3.6392
N7	3.1898	2.2732	2.6760	1.3409	1.0252	1.0161		3.3133	3.3132	2.6241
H8	2.5092	2.0033	4.5076	3.0606	2.8167	4.3009	3.3133		1.6829	1.0270
H9	2.5094	2.0033	4.5079	3.0607	2.8167	4.3010	3.3132	1.6829		1.0270
N10	2.1243	1.3786	3.9191	2.3824	2.1746	3.6392	2.6241	1.0270	1.0270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	115.669	H1	N2	N10	123.541
N2	C4	S3	120.327	N2	C4	N7	114.530
N2	N10	H8	111.939	N2	N10	H9	111.938
S3	C4	N7	125.143	C4	N2	N10	120.790
C4	N7	H5	118.093	C4	N7	H6	118.300
H5	N7	H6	123.607	H8	N10	H9	110.034

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: SVWN/aug-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	-0.124
2	N	0.326
3	S	-0.301
4	C	0.319
5	H	-0.062
6	H	-0.037
7	N	0.068
8	H	0.042
9	H	0.042
10	N	-0.274

	x	y	z	Total
	-5.738	0.439	0.002	5.755
CHELPG
AIM
ESP

	x	y	z
x	13.940	-0.399	-0.002
y	-0.399	10.328	-0.007
z	-0.002	-0.007	7.169

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: SVWN/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)