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	hartrees
Energy at 0K	-600.499592
Energy at 298.15K	-600.507778
Nuclear repulsion energy	224.841043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3699	3532	85.46
2	A	3542	3382	28.09
3	A	3530	3371	2.46
4	A	3498	3340	86.09
5	A	3420	3266	0.44
6	A	1725	1647	23.05
7	A	1619	1546	228.78
8	A	1514	1446	184.35
9	A	1467	1401	66.21
10	A	1325	1265	189.99
11	A	1294	1236	0.97
12	A	1168	1115	33.13
13	A	1020	974	23.43
14	A	858	819	19.00
15	A	787	752	148.45
16	A	759	725	174.49
17	A	660	631	47.37
18	A	596	569	299.44
19	A	563	537	0.01
20	A	517	494	2.31
21	A	392	375	3.89
22	A	367	351	27.52
23	A	312	298	14.96
24	A	153	146	13.52

Atom	x (Å)	y (Å)	z (Å)
H1	-0.588	-1.715	0.000
N2	-0.838	-0.731	-0.000
S3	1.773	-0.329	0.000
C4	0.182	0.183	-0.000
H5	-1.233	1.622	0.000
H6	0.455	2.201	-0.000
N7	-0.228	1.460	0.000
H8	-2.675	-0.557	0.848
H9	-2.675	-0.556	-0.848
N10	-2.183	-0.274	0.000

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0150	2.7377	2.0487	3.3989	4.0528	3.1953	2.5327	2.5335	2.1491
N2	1.0150		2.6414	1.3701	2.3864	3.2048	2.2744	2.0314	2.0313	1.4206
S3	2.7377	2.6414		1.6708	3.5835	2.8528	2.6840	4.5340	4.5341	3.9561
C4	2.0487	1.3701	1.6708		2.0184	2.0364	1.3411	3.0716	3.0715	2.4092
H5	3.3989	2.3864	3.5835	2.0184		1.7846	1.0179	2.7479	2.7474	2.1212
H6	4.0528	3.2048	2.8528	2.0364	1.7846		1.0081	4.2580	4.2574	3.6178
N7	3.1953	2.2744	2.6840	1.3411	1.0179	1.0081		3.2831	3.2826	2.6133
H8	2.5327	2.0314	4.5340	3.0716	2.7479	4.2580	3.2831		1.6968	1.0208
H9	2.5335	2.0313	4.5341	3.0715	2.7474	4.2574	3.2826	1.6968		1.0209
N10	2.1491	1.4206	3.9561	2.4092	2.1212	3.6178	2.6133	1.0208	1.0209

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	117.632	H1	N2	N10	122.996
N2	C4	S3	120.278	N2	C4	N7	114.045
N2	N10	H8	111.575	N2	N10	H9	111.565
S3	C4	N7	125.677	C4	N2	N10	119.372
C4	N7	H5	116.999	C4	N7	H6	119.512
H5	N7	H6	123.489	H8	N10	H9	112.420

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B1B95/3-21G*

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	0.350
2	N	-0.577
3	S	-0.226
4	C	0.440
5	H	0.346
6	H	0.350
7	N	-0.786
8	H	0.320
9	H	0.320
10	N	-0.538

	x	y	z	Total
	-6.333	0.302	0.001	6.340
CHELPG
AIM
ESP

	x	y	z
x	10.185	-0.621	0.000
y	-0.621	6.093	-0.000
z	0.000	-0.000	3.150

<r²>	160.564
(<r²>)^1/2	12.671

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)