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	hartrees
Energy at 0K	-603.522450
Energy at 298.15K	-603.529778
Nuclear repulsion energy	225.479752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3760	3615	91.63
2	A	3586	3447	19.18
3	A	3578	3439	67.57
4	A	3552	3414	4.58
5	A	3469	3334	2.69
6	A	1679	1613	55.27
7	A	1598	1536	265.31
8	A	1533	1474	186.96
9	A	1443	1387	11.00
10	A	1310	1259	0.99
11	A	1291	1241	149.96
12	A	1193	1147	23.85
13	A	1034	994	29.33
14	A	915	879	87.73
15	A	837	805	40.07
16	A	675	649	0.63
17	A	615	591	0.44
18	A	521	501	1.37
19	A	500	481	24.42
20	A	385	370	22.41
21	A	373	359	171.96
22	A	297	285	15.31
23	A	86	82	77.03
24	A	33	31	10.91

Atom	x (Å)	y (Å)	z (Å)
H1	-0.596	-1.676	0.017
N2	-0.861	-0.698	-0.035
S3	1.754	-0.359	0.007
C4	0.173	0.189	-0.008
H5	-1.166	1.723	-0.026
H6	0.548	2.175	-0.011
N7	-0.183	1.482	0.002
H8	-2.632	-0.605	0.865
H9	-2.698	-0.638	-0.781
N10	-2.179	-0.267	0.015

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0146	2.6946	2.0174	3.4460	4.0169	3.1849	2.4514	2.4758	2.1190
N2	1.0146		2.6376	1.3626	2.4394	3.1993	2.2831	1.9887	1.9833	1.3878
S3	2.6946	2.6376		1.6730	3.5864	2.8060	2.6727	4.4760	4.5299	3.9348
C4	2.0174	1.3626	1.6730		2.0366	2.0209	1.3418	3.0431	3.0864	2.3967
H5	3.4460	2.4394	3.5864	2.0366		1.7727	1.0123	2.8910	2.9134	2.2330
H6	4.0169	3.1993	2.8060	2.0209	1.7727		1.0071	4.3129	4.3633	3.6606
N7	3.1849	2.2831	2.6727	1.3418	1.0123	1.0071		3.3307	3.3811	2.6541
H8	2.4514	1.9887	4.4760	3.0431	2.8910	4.3129	3.3307		1.6480	1.0207
H9	2.4758	1.9833	4.5299	3.0864	2.9134	4.3633	3.3811	1.6480		1.0198
N10	2.1190	1.3878	3.9348	2.3967	2.2330	3.6606	2.6541	1.0207	1.0198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	115.347	H1	N2	N10	123.026
N2	C4	S3	120.311	N2	C4	N7	115.176
N2	N10	H8	110.393	N2	N10	H9	109.985
S3	C4	N7	124.513	C4	N2	N10	121.239
C4	N7	H5	119.132	C4	N7	H6	118.017
H5	N7	H6	122.769	H8	N10	H9	107.738

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B1B95/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	0.107
2	N	-0.148
3	S	-0.355
4	C	0.107
5	H	0.102
6	H	0.118
7	N	-0.065
8	H	0.116
9	H	0.117
10	N	-0.098

	x	y	z	Total
	-5.802	0.478	0.074	5.822
CHELPG
AIM
ESP

	x	y	z
x	10.808	-0.558	0.017
y	-0.558	7.065	-0.009
z	0.017	-0.009	3.831

<r²>	160.115
(<r²>)^1/2	12.654

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)