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	hartrees
Energy at 0K	-982.936383
Energy at 298.15K
HF Energy	-982.007675
Nuclear repulsion energy	337.989677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3820	3558	0.00
2	A_g	3644	3395	0.00
3	A_g	1695	1579	0.00
4	A_g	1470	1369	0.00
5	A_g	1386	1291	0.00
6	A_g	997	929	0.00
7	A_g	699	651	0.00
8	A_g	429	400	0.00
9	A_g	348	324	0.00
10	A_u	633	590	5.24
11	A_u	380	354	137.12
12	A_u	298	278	244.23
13	A_u	83i	78i	0.97
14	B_g	632	589	0.00
15	B_g	598	557	0.00
16	B_g	135	126	0.00
17	B_u	3821	3560	204.55
18	B_u	3651	3401	270.69
19	B_u	1664	1550	526.29
20	B_u	1458	1358	540.73
21	B_u	1270	1183	131.03
22	B_u	914	852	74.42
23	B_u	475	443	0.45
24	B_u	290	270	20.54

Atom	x (Å)	y (Å)
C1	-0.044	0.763
C2	0.044	-0.763
S3	1.295	1.734
S4	-1.295	-1.734
N5	-1.295	1.224
N6	1.295	-1.224
H7	-2.062	0.571
H8	-1.459	2.214
H9	2.062	-0.571
H10	1.459	-2.214

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5295	1.6530	2.7930	1.3332	2.3964	2.0276	2.0265	2.4927	3.3350
C2	1.5295		2.7930	1.6530	2.3964	1.3332	2.4927	3.3350	2.0276	2.0265
S3	1.6530	2.7930		4.3275	2.6388	2.9581	3.5525	2.7952	2.4287	3.9509
S4	2.7930	1.6530	4.3275		2.9581	2.6388	2.4287	3.9509	3.5525	2.7952
N5	1.3332	2.3964	2.6388	2.9581		3.5638	1.0082	1.0029	3.8064	4.4049
N6	2.3964	1.3332	2.9581	2.6388	3.5638		3.8064	4.4049	1.0082	1.0029
H7	2.0276	2.4927	3.5525	2.4287	1.0082	3.8064		1.7503	4.2791	4.4890
H8	2.0265	3.3350	2.7952	3.9509	1.0029	4.4049	1.7503		4.4890	5.3027
H9	2.4927	2.0276	2.4287	3.5525	3.8064	1.0082	4.2791	4.4890		1.7503
H10	3.3350	2.0265	3.9509	2.7952	4.4049	1.0029	4.4890	5.3027	1.7503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.670	C1	C2	N6	113.498
C1	N5	H7	119.344	C1	N5	H8	119.667
C2	C1	S3	122.670	C2	C1	N5	113.498
C2	N6	H9	119.344	C2	N6	H10	119.667
S3	C1	N5	123.832	S4	C2	N6	123.832
H7	N5	H8	120.989	H9	N6	H10	120.989

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP3=FULL/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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All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)