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	hartrees
Energy at 0K	-215.430575
Energy at 298.15K	-215.438582
Nuclear repulsion energy	158.878415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3763	3617	70.75
2	A	3647	3505	8.15
3	A	3600	3460	23.25
4	A	3577	3439	66.73
5	A	3516	3380	0.09
6	A	1705	1639	33.34
7	A	1624	1561	218.43
8	A	1518	1459	118.44
9	A	1474	1417	107.25
10	A	1301	1250	193.63
11	A	1265	1216	0.04
12	A	1181	1136	21.06
13	A	1005	966	29.18
14	A	820	788	33.34
15	A	708	680	42.84
16	A	687	661	237.96
17	A	614	590	300.85
18	A	588	565	51.95
19	A	571	549	95.03
20	A	495	475	3.49
21	A	376	362	1.40
22	A	368	354	24.44
23	A	292	280	10.81
24	A	148	142	11.18

Atom	x (Å)	y (Å)	z (Å)
H1	0.506	-1.731	-0.001
N2	0.556	-0.716	-0.001
S3	-2.147	-0.902	0.001
C4	-0.647	-0.034	-0.000
H5	0.377	1.751	-0.001
H6	-1.389	1.873	0.002
N7	-0.544	1.323	-0.001
H8	2.325	-0.147	0.859
H9	2.328	-0.146	-0.855
N10	1.790	-0.034	0.001

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0155	2.7791	2.0514	3.4838	4.0716	3.2292	2.5607	2.5615	2.1279
N2	1.0155		2.7092	1.3833	2.4736	3.2388	2.3172	2.0478	2.0476	1.4097
S3	2.7791	2.7092		1.7326	3.6607	2.8761	2.7420	4.6155	4.6177	4.0307
C4	2.0514	1.3833	1.7326		2.0572	2.0462	1.3609	3.0958	3.0971	2.4364
H5	3.4838	2.4736	3.6607	2.0572		1.7700	1.0147	2.8522	2.8521	2.2759
H6	4.0716	3.2388	2.8761	2.0462	1.7700		1.0086	4.3138	4.3158	3.7066
N7	3.2292	2.3172	2.7420	1.3609	1.0147	1.0086		3.3359	3.3367	2.6989
H8	2.5607	2.0478	4.6155	3.0958	2.8522	4.3138	3.3359		1.7140	1.0176
H9	2.5615	2.0476	4.6177	3.0971	2.8521	4.3158	3.3367	1.7140		1.0176
N10	2.1279	1.4097	4.0307	2.4364	2.2759	3.7066	2.6989	1.0176	1.0176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.726	H1	N2	N10	121.813
N2	C4	S3	120.379	N2	C4	N7	115.215
N2	N10	H8	114.086	N2	N10	H9	114.071
S3	C4	N7	124.406	C4	N2	N10	121.461
C4	N7	H5	119.272	C4	N7	H6	118.685
H5	N7	H6	122.043	H8	N10	H9	114.748

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B3LYP/LANL2DZ

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	0.329
2	N	-0.286
3	S	-0.147
4	C	-0.077
5	H	0.346
6	H	0.340
7	N	-0.540
8	H	0.308
9	H	0.308
10	N	-0.581

	x	y	z	Total
	5.980	1.836	0.007	6.255
CHELPG
AIM
ESP

	x	y	z
x	10.469	1.838	-0.006
y	1.838	6.859	-0.002
z	-0.006	-0.002	3.339

<r²>	124.650
(<r²>)^1/2	11.165

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)