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	hartrees
Energy at 0K	-601.657012
Energy at 298.15K	-601.664947
Nuclear repulsion energy	226.190353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3972	3606	114.71
2	A	3846	3493	54.48
3	A	3816	3465	103.90
4	A	3798	3449	11.11
5	A	3711	3369	3.14
6	A	1830	1661	65.77
7	A	1748	1587	265.26
8	A	1688	1533	214.57
9	A	1574	1429	55.20
10	A	1432	1300	1.63
11	A	1400	1272	227.22
12	A	1290	1171	25.37
13	A	1114	1011	70.45
14	A	1035	940	110.47
15	A	878	797	51.88
16	A	738	670	1.29
17	A	666	605	6.69
18	A	559	508	52.37
19	A	544	494	2.51
20	A	423	384	1.49
21	A	402	365	256.29
22	A	324	294	12.72
23	A	218	198	59.24
24	A	89	81	13.47

Atom	x (Å)	y (Å)	z (Å)
H1	-0.620	-1.653	0.000
N2	-0.865	-0.684	-0.002
S3	1.751	-0.366	0.000
C4	0.158	0.190	-0.000
H5	-1.121	1.763	0.001
H6	0.576	2.145	0.002
N7	-0.164	1.479	-0.001
H8	-2.655	-0.616	0.818
H9	-2.658	-0.614	-0.815
N10	-2.184	-0.267	0.001

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		0.9992	2.6985	2.0004	3.4524	3.9825	3.1657	2.4256	2.4280	2.0894
N2	0.9992		2.6350	1.3448	2.4604	3.1752	2.2742	1.9703	1.9701	1.3835
S3	2.6985	2.6350		1.6877	3.5748	2.7725	2.6597	4.4884	4.4903	3.9360
C4	2.0004	1.3448	1.6877		2.0269	1.9999	1.3293	3.0380	3.0388	2.3853
H5	3.4524	2.4604	3.5748	2.0269		1.7395	0.9976	2.9460	2.9456	2.2910
H6	3.9825	3.1752	2.7725	1.9999	1.7395		0.9957	4.3279	4.3287	3.6653
N7	3.1657	2.2742	2.6597	1.3293	0.9976	0.9957		3.3563	3.3559	2.6697
H8	2.4256	1.9703	4.4884	3.0380	2.9460	4.3279	3.3563		1.6329	1.0056
H9	2.4280	1.9701	4.4903	3.0388	2.9456	4.3287	3.3559	1.6329		1.0056
N10	2.0894	1.3835	3.9360	2.3853	2.2910	3.6653	2.6697	1.0056	1.0056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.392	H1	N2	N10	121.699
N2	C4	S3	120.247	N2	C4	N7	116.523
N2	N10	H8	110.112	N2	N10	H9	110.099
S3	C4	N7	123.230	C4	N2	N10	121.907
C4	N7	H5	120.505	C4	N7	H6	117.958
H5	N7	H6	121.536	H8	N10	H9	108.568

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: HF/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	CHELPG
1	H	0.133	0.140
2	N	-0.242	0.142
3	S	-0.425	-0.499
4	C	0.282	0.089
5	H	0.130	0.234
6	H	0.142	0.254
7	N	-0.163	-0.317
8	H	0.124	0.325
9	H	0.124	0.324
10	N	-0.105	-0.692

	x	y	z	Total
	-6.350	0.643	0.010	6.383
CHELPG
AIM
ESP

	x	y	z
x	9.547	-0.580	0.001
y	-0.580	6.266	-0.000
z	0.001	-0.000	3.690

<r²>	160.186
(<r²>)^1/2	12.656

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)