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	hartrees
Energy at 0K	-603.480040
Energy at 298.15K	-603.487738
HF Energy	-603.480040
Nuclear repulsion energy	225.127016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3796	3615	93.28
2	A	3657	3483	41.47
3	A	3647	3473	14.63
4	A	3633	3460	79.49
5	A	3546	3377	0.93
6	A	1704	1623	60.47
7	A	1637	1559	269.33
8	A	1553	1479	210.35
9	A	1476	1406	34.06
10	A	1314	1252	0.90
11	A	1314	1251	250.98
12	A	1209	1151	21.27
13	A	1039	990	43.66
14	A	907	863	103.06
15	A	831	792	79.81
16	A	681	648	0.03
17	A	607	578	3.00
18	A	525	500	1.15
19	A	502	478	29.55
20	A	410	390	1.56
21	A	400	381	274.29
22	A	310	296	9.79
23	A	235	224	27.99
24	A	73	70	20.78

Atom	x (Å)	y (Å)	z (Å)
H1	-0.619	-1.675	0.036
N2	-0.863	-0.700	-0.071
S3	1.756	-0.362	0.014
C4	0.175	0.187	-0.019
H5	-1.151	1.741	-0.034
H6	0.555	2.176	-0.007
N7	-0.175	1.485	-0.000
H8	-2.604	-0.572	0.909
H9	-2.736	-0.630	-0.743
N10	-2.190	-0.267	0.032

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0106	2.7146	2.0249	3.4576	4.0260	3.1911	2.4324	2.4856	2.1092
N2	1.0106		2.6422	1.3662	2.4581	3.2069	2.2917	2.0023	1.9911	1.4000
S3	2.7146	2.6422		1.6738	3.5880	2.8075	2.6719	4.4561	4.5634	3.9478
C4	2.0249	1.3662	1.6738		2.0430	2.0250	1.3447	3.0265	3.1091	2.4093
H5	3.4576	2.4581	3.5880	2.0430		1.7604	1.0094	2.8895	2.9389	2.2625
H6	4.0260	3.2069	2.8075	2.0250	1.7604		1.0049	4.2857	4.3868	3.6753
N7	3.1911	2.2917	2.6719	1.3447	1.0094	1.0049		3.3103	3.4035	2.6710
H8	2.4324	2.0023	4.4561	3.0265	2.8895	4.2857	3.3103		1.6584	1.0163
H9	2.4856	1.9911	4.5634	3.1091	2.9389	4.3868	3.4035	1.6584		1.0148
N10	2.1092	1.4000	3.9478	2.4093	2.2625	3.6753	2.6710	1.0163	1.0148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.044	H1	N2	N10	121.230
N2	C4	S3	120.385	N2	C4	N7	115.423
N2	N10	H8	110.925	N2	N10	H9	110.057
S3	C4	N7	124.192	C4	N2	N10	121.138
C4	N7	H5	119.740	C4	N7	H6	118.331
H5	N7	H6	121.836	H8	N10	H9	109.469

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: wB97X-D/6-31+G**

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	0.338
2	N	-0.088
3	S	-0.281
4	C	-0.002
5	H	0.346
6	H	0.349
7	N	-0.522
8	H	0.324
9	H	0.324
10	N	-0.787

	x	y	z	Total
	-6.081	0.509	0.000	6.102
CHELPG
AIM
ESP

	x	y	z
x	12.062	-0.538	0.000
y	-0.538	8.592	0.000
z	0.000	0.000	5.912

<r²>	161.553
(<r²>)^1/2	12.710

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)