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	hartrees
Energy at 0K	-189.975034
Energy at 298.15K	-189.985372
HF Energy	-189.286147
Nuclear repulsion energy	131.648679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3548	3340	0.00
2	A_g	3089	2908	0.00
3	A_g	1712	1612	0.00
4	A_g	1541	1451	0.00
5	A_g	1453	1368	0.00
6	A_g	1157	1089	0.00
7	A_g	1108	1043	0.00
8	A_g	891	839	0.00
9	A_g	471	444	0.00
10	A_u	3638	3425	0.87
11	A_u	3151	2967	76.70
12	A_u	1435	1350	1.99
13	A_u	1098	1034	0.76
14	A_u	771	726	0.02
15	A_u	286	269	119.41
16	A_u	155	146	0.23
17	B_g	3639	3426	0.00
18	B_g	3126	2943	0.00
19	B_g	1410	1328	0.00
20	B_g	1344	1265	0.00
21	B_g	968	911	0.00
22	B_g	318	299	0.00
23	B_u	3548	3340	2.23
24	B_u	3094	2913	85.59
25	B_u	1710	1610	44.81
26	B_u	1558	1467	0.12
27	B_u	1368	1288	31.64
28	B_u	1120	1054	6.52
29	B_u	935	880	387.75
30	B_u	281	264	20.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	0.655	0.000
C2	-0.399	-0.655	0.000
N3	-0.399	1.883	0.000
N4	0.399	-1.883	0.000
H5	1.012	-1.884	0.810
H6	1.012	-1.884	-0.810
H7	-1.012	1.884	0.810
H8	-1.012	1.884	-0.810
H9	-1.054	-0.677	-0.877
H10	-1.054	-0.677	0.877
H11	1.054	0.677	-0.877
H12	1.054	0.677	0.877

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5336	1.4650	2.5382	2.7344	2.7344	2.0389	2.0389	2.1566	2.1566	1.0944	1.0944
C2	1.5336		2.5382	1.4650	2.0389	2.0389	2.7344	2.7344	1.0944	1.0944	2.1566	2.1566
N3	1.4650	2.5382		3.8504	4.1036	4.1036	1.0155	1.0155	2.7840	2.7840	2.0821	2.0821
N4	2.5382	1.4650	3.8504		1.0155	1.0155	4.1036	4.1036	2.0821	2.0821	2.7840	2.7840
H5	2.7344	2.0389	4.1036	1.0155		1.6194	4.2771	4.5735	2.9271	2.3934	3.0664	2.5618
H6	2.7344	2.0389	4.1036	1.0155	1.6194		4.5735	4.2771	2.3934	2.9271	2.5618	3.0664
H7	2.0389	2.7344	1.0155	4.1036	4.2771	4.5735		1.6194	3.0664	2.5618	2.9271	2.3934
H8	2.0389	2.7344	1.0155	4.1036	4.5735	4.2771	1.6194		2.5618	3.0664	2.3934	2.9271
H9	2.1566	1.0944	2.7840	2.0821	2.9271	2.3934	3.0664	2.5618		1.7536	2.5041	3.0570
H10	2.1566	1.0944	2.7840	2.0821	2.3934	2.9271	2.5618	3.0664	1.7536		3.0570	2.5041
H11	1.0944	2.1566	2.0821	2.7840	3.0664	2.5618	2.9271	2.3934	2.5041	3.0570		1.7536
H12	1.0944	2.1566	2.0821	2.7840	2.5618	3.0664	2.3934	2.9271	3.0570	2.5041	1.7536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.639	C1	C2	H9	109.160
C1	C2	H10	109.160	C1	N3	H7	109.226
C1	N3	H8	109.226	C2	C1	N3	115.639
C2	C1	H11	109.160	C2	C1	H12	109.160
C2	N4	H5	109.226	C2	N4	H6	109.226
N3	C1	H11	108.005	N3	C1	H12	108.005
N4	C2	H9	108.005	N4	C2	H10	108.005
H5	N4	H6	105.760	H7	N3	H8	105.760
H9	C2	H10	106.487	H11	C1	H12	106.487

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: QCISD/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 C2H8N2 (Ethylenediamine)

using model chemistry: QCISD/6-31G**

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)