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	hartrees
Energy at 0K	-603.573625
Energy at 298.15K	-603.581221
Nuclear repulsion energy	225.912556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3766	3616	84.38
2	A	3614	3469	28.46
3	A	3597	3453	70.84
4	A	3586	3443	5.64
5	A	3502	3362	1.89
6	A	1696	1629	53.10
7	A	1614	1550	262.90
8	A	1534	1473	199.83
9	A	1463	1405	19.07
10	A	1311	1259	0.53
11	A	1300	1248	217.41
12	A	1193	1145	21.95
13	A	1033	992	36.92
14	A	906	870	94.17
15	A	833	800	60.86
16	A	680	653	0.27
17	A	611	586	0.15
18	A	521	501	0.60
19	A	499	479	25.60
20	A	398	382	261.28
21	A	392	376	2.14
22	A	302	290	10.47
23	A	189	181	49.22
24	A	64	62	19.37

Atom	x (Å)	y (Å)	z (Å)
H1	-0.604	-1.676	0.000
N2	-0.857	-0.700	-0.002
S3	1.754	-0.354	0.001
C4	0.173	0.186	-0.001
H5	-1.167	1.714	-0.002
H6	0.534	2.171	0.001
N7	-0.188	1.475	-0.000
H8	-2.658	-0.601	0.830
H9	-2.663	-0.602	-0.824
N10	-2.177	-0.270	0.001

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0086	2.7037	2.0180	3.4363	4.0113	3.1786	2.4625	2.4642	2.1101
N2	1.0086		2.6339	1.3584	2.4333	3.1891	2.2753	1.9868	1.9866	1.3889
S3	2.7037	2.6339		1.6712	3.5789	2.8042	2.6679	4.4966	4.5004	3.9328
C4	2.0180	1.3584	1.6712		2.0317	2.0167	1.3384	3.0537	3.0563	2.3944
H5	3.4363	2.4333	3.5789	2.0317		1.7605	1.0075	2.8763	2.8768	2.2266
H6	4.0113	3.1891	2.8042	2.0167	1.7605		1.0020	4.3076	4.3107	3.6478
N7	3.1786	2.2753	2.6679	1.3384	1.0075	1.0020		3.3318	3.3343	2.6466
H8	2.4625	1.9868	4.4966	3.0537	2.8763	4.3076	3.3318		1.6535	1.0132
H9	2.4642	1.9866	4.5004	3.0563	2.8768	4.3107	3.3343	1.6535		1.0131
N10	2.1101	1.3889	3.9328	2.3944	2.2266	3.6478	2.6466	1.0132	1.0131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.200	H1	N2	N10	122.523
N2	C4	S3	120.428	N2	C4	N7	115.069
N2	N10	H8	110.636	N2	N10	H9	110.623
S3	C4	N7	124.503	C4	N2	N10	121.276
C4	N7	H5	119.341	C4	N7	H6	118.307
H5	N7	H6	122.351	H8	N10	H9	109.372

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B1B95/6-311G**

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	0.270
2	N	-0.337
3	S	-0.285
4	C	0.200
5	H	0.241
6	H	0.272
7	N	-0.453
8	H	0.242
9	H	0.242
10	N	-0.392

	x	y	z	Total
	-6.090	0.499	0.006	6.110
CHELPG
AIM
ESP

	x	y	z
x	11.548	-0.678	0.002
y	-0.678	7.394	-0.000
z	0.002	-0.000	4.098

<r²>	160.266
(<r²>)^1/2	12.660

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)