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	hartrees
Energy at 0K	-603.497767
Energy at 298.15K	-603.505764
Nuclear repulsion energy	221.472704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3762	3616	69.83
2	A	3645	3504	7.36
3	A	3598	3459	22.26
4	A	3579	3440	64.27
5	A	3514	3378	0.13
6	A	1705	1639	32.96
7	A	1622	1559	218.76
8	A	1516	1457	124.37
9	A	1471	1414	101.59
10	A	1301	1251	186.67
11	A	1264	1215	0.04
12	A	1181	1136	22.02
13	A	1005	966	28.35
14	A	824	792	30.06
15	A	705	677	43.75
16	A	687	661	234.67
17	A	606	582	223.60
18	A	587	565	146.91
19	A	568	546	67.77
20	A	498	479	3.54
21	A	378	363	1.31
22	A	365	351	26.10
23	A	292	280	10.94
24	A	144	139	10.90

Atom	x (Å)	y (Å)	z (Å)
H1	-0.615	-1.706	0.002
N2	-0.871	-0.723	-0.002
S3	1.802	-0.351	0.000
C4	0.169	0.190	-0.000
H5	-1.198	1.730	0.000
H6	0.506	2.209	-0.000
N7	-0.210	1.498	-0.000
H8	-2.721	-0.526	-0.856
H9	-2.719	-0.528	0.858
N10	-2.218	-0.306	0.001

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0156	2.7709	2.0518	3.4846	4.0723	3.2298	2.5620	2.5592	2.1282
N2	1.0156		2.6985	1.3840	2.4744	3.2393	2.3177	2.0475	2.0477	1.4099
S3	2.7709	2.6985		1.7200	3.6502	2.8688	2.7322	4.6067	4.6050	4.0196
C4	2.0518	1.3840	1.7200		2.0586	2.0468	1.3619	3.0982	3.0972	2.4375
H5	3.4846	2.4744	3.6502	2.0586		1.7699	1.0146	2.8534	2.8540	2.2765
H6	4.0723	3.2393	2.8688	2.0468	1.7699		1.0087	4.3160	4.3159	3.7069
N7	3.2298	2.3177	2.7322	1.3619	1.0146	1.0087		3.3373	3.3372	2.6991
H8	2.5620	2.0475	4.6067	3.0982	2.8534	4.3160	3.3373		1.7136	1.0176
H9	2.5592	2.0477	4.6050	3.0972	2.8540	4.3159	3.3372	1.7136		1.0178
N10	2.1282	1.4099	4.0196	2.4375	2.2765	3.7069	2.6991	1.0176	1.0178

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.695	H1	N2	N10	121.819
N2	C4	S3	120.386	N2	C4	N7	115.143
N2	N10	H8	114.036	N2	N10	H9	114.048
S3	C4	N7	124.471	C4	N2	N10	121.485
C4	N7	H5	119.326	C4	N7	H6	118.643
H5	N7	H6	122.031	H8	N10	H9	114.685

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B3LYP/SDD

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	0.326
2	N	-0.286
3	S	-0.081
4	C	-0.141
5	H	0.345
6	H	0.336
7	N	-0.535
8	H	0.306
9	H	0.306
10	N	-0.577

	x	y	z	Total
	-6.077	0.534	0.008	6.100
CHELPG
AIM
ESP

	x	y	z
x	10.861	-0.841	0.001
y	-0.841	6.416	-0.000
z	0.001	-0.000	3.525

<r²>	166.002
(<r²>)^1/2	12.884

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)