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	hartrees
Energy at 0K	-983.803813
Energy at 298.15K
HF Energy	-983.619099
Nuclear repulsion energy	331.275117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3707	3707	0.00
2	A_g	3514	3514	0.00
3	A_g	1694	1694	0.00
4	A_g	1482	1482	0.00
5	A_g	1365	1365	0.00
6	A_g	963	963	0.00
7	A_g	669	669	0.00
8	A_g	425	425	0.00
9	A_g	335	335	0.00
10	A_u	757	757	584.46
11	A_u	649	649	9.09
12	A_u	390	390	22.21
13	A_u	53	53	14.32
14	B_g	769	769	0.00
15	B_g	689	689	0.00
16	B_g	643	643	0.00
17	B_u	3709	3709	168.87
18	B_u	3518	3518	204.71
19	B_u	1674	1674	415.51
20	B_u	1454	1454	260.04
21	B_u	1280	1280	115.93
22	B_u	820	820	53.27
23	B_u	462	462	1.74
24	B_u	280	280	25.20

Atom	x (Å)	y (Å)
C1	-0.062	0.756
C2	0.062	-0.756
S3	1.320	1.792
S4	-1.320	-1.792
N5	-1.320	1.217
N6	1.320	-1.217
H7	-2.094	0.559
H8	-1.489	2.212
H9	2.094	-0.559
H10	1.489	-2.212

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5167	1.7278	2.8417	1.3398	2.4089	2.0413	2.0382	2.5254	3.3482
C2	1.5167		2.8417	1.7278	2.4089	1.3398	2.5254	3.3482	2.0413	2.0382
S3	1.7278	2.8417		4.4521	2.7021	3.0095	3.6301	2.8399	2.4754	4.0075
S4	2.8417	1.7278	4.4521		3.0095	2.7021	2.4754	4.0075	3.6301	2.8399
N5	1.3398	2.4089	2.7021	3.0095		3.5910	1.0160	1.0087	3.8483	4.4322
N6	2.4089	1.3398	3.0095	2.7021	3.5910		3.8483	4.4322	1.0160	1.0087
H7	2.0413	2.5254	3.6301	2.4754	1.0160	3.8483		1.7601	4.3346	4.5290
H8	2.0382	3.3482	2.8399	4.0075	1.0087	4.4322	1.7601		4.5290	5.3319
H9	2.5254	2.0413	2.4754	3.6301	3.8483	1.0160	4.3346	4.5290		1.7601
H10	3.3482	2.0382	4.0075	2.8399	4.4322	1.0087	4.5290	5.3319	1.7601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.163	C1	C2	N6	114.843
C1	N5	H7	119.484	C1	N5	H8	119.764
C2	C1	S3	122.163	C2	C1	N5	114.843
C2	N6	H9	119.484	C2	N6	H10	119.764
S3	C1	N5	122.994	S4	C2	N6	122.994
H7	N5	H8	120.752	H9	N6	H10	120.752

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B2PLYP=FULLultrafine/6-31G

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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All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: B2PLYP=FULLultrafine/6-31G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)