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	hartrees
Energy at 0K	-982.977636
Energy at 298.15K	-982.983641
HF Energy	-982.064567
Nuclear repulsion energy	335.763351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3693	3542	0.00
2	A_g	3480	3337	0.00
3	A_g	1627	1561	0.00
4	A_g	1428	1370	0.00
5	A_g	1334	1279	0.00
6	A_g	965	926	0.00
7	A_g	682	654	0.00
8	A_g	415	398	0.00
9	A_g	336	322	0.00
10	A_u	654	627	2.89
11	A_u	483	464	224.42
12	A_u	384	369	52.30
13	A_u	40	38	6.41
14	B_g	693	664	0.00
15	B_g	646	619	0.00
16	B_g	468	449	0.00
17	B_u	3695	3544	222.25
18	B_u	3486	3343	245.40
19	B_u	1588	1523	480.62
20	B_u	1429	1370	345.34
21	B_u	1227	1177	83.68
22	B_u	896	859	29.11
23	B_u	450	432	0.42
24	B_u	280	269	24.19

Atom	x (Å)	y (Å)
C1	-0.045	0.765
C2	0.045	-0.765
S3	1.308	1.742
S4	-1.308	-1.742
N5	-1.308	1.222
N6	1.308	-1.222
H7	-2.069	0.541
H8	-1.478	2.221
H9	2.069	-0.541
H10	1.478	-2.221

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5318	1.6695	2.8069	1.3436	2.4040	2.0358	2.0429	2.4845	3.3513
C2	1.5318		2.8069	1.6695	2.4040	1.3436	2.4845	3.3513	2.0358	2.0429
S3	1.6695	2.8069		4.3572	2.6679	2.9641	3.5841	2.8274	2.4063	3.9661
S4	2.8069	1.6695	4.3572		2.9641	2.6679	2.4063	3.9661	3.5841	2.8274
N5	1.3436	2.4040	2.6679	2.9641		3.5808	1.0207	1.0127	3.8096	4.4291
N6	2.4040	1.3436	2.9641	2.6679	3.5808		3.8096	4.4291	1.0207	1.0127
H7	2.0358	2.4845	3.5841	2.4063	1.0207	3.8096		1.7802	4.2764	4.4952
H8	2.0429	3.3513	2.8274	3.9661	1.0127	4.4291	1.7802		4.4952	5.3351
H9	2.4845	2.0358	2.4063	3.5841	3.8096	1.0207	4.2764	4.4952		1.7802
H10	3.3513	2.0429	3.9661	2.8274	4.4291	1.0127	4.4952	5.3351	1.7802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.456	C1	C2	N6	113.288
C1	N5	H7	118.231	C1	N5	H8	119.566
C2	C1	S3	122.456	C2	C1	N5	113.288
C2	N6	H9	118.231	C2	N6	H10	119.566
S3	C1	N5	124.256	S4	C2	N6	124.256
H7	N5	H8	122.202	H9	N6	H10	122.202

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP2/aug-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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All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)