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	hartrees
Energy at 0K	-190.387332
Energy at 298.15K	-190.397202
Nuclear repulsion energy	131.012369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3582	3431	0.00
2	A_g	3032	2904	0.00
3	A_g	1710	1638	0.00
4	A_g	1519	1454	0.00
5	A_g	1417	1357	0.00
6	A_g	1139	1091	0.00
7	A_g	1035	992	0.00
8	A_g	552	529	0.00
9	A_g	463	443	0.00
10	A_u	3703	3547	2.98
11	A_u	3102	2971	86.93
12	A_u	1392	1333	0.06
13	A_u	1070	1024	1.09
14	A_u	762	730	2.48
15	A_u	251	240	115.41
16	A_u	145	139	0.00
17	B_g	3704	3547	0.00
18	B_g	3071	2941	0.00
19	B_g	1380	1322	0.00
20	B_g	1307	1251	0.00
21	B_g	938	898	0.00
22	B_g	279	268	0.00
23	B_u	3582	3430	0.49
24	B_u	3041	2912	110.55
25	B_u	1711	1639	64.29
26	B_u	1535	1470	2.71
27	B_u	1359	1301	6.51
28	B_u	1124	1076	43.50
29	B_u	557	533	726.94
30	B_u	268	256	32.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.400	0.662	0.000
C2	-0.400	-0.662	0.000
N3	-0.400	1.877	0.000
N4	0.400	-1.877	0.000
H5	0.926	-2.062	0.843
H6	0.926	-2.062	-0.843
H7	-0.926	2.062	0.843
H8	-0.926	2.062	-0.843
H9	-1.061	-0.678	-0.878
H10	-1.061	-0.678	0.878
H11	1.061	0.678	-0.878
H12	1.061	0.678	0.878

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5464	1.4551	2.5393	2.8991	2.8991	2.1043	2.1043	2.1677	2.1677	1.0991	1.0991
C2	1.5464		2.5393	1.4551	2.1043	2.1043	2.8991	2.8991	1.0991	1.0991	2.1677	2.1677
N3	1.4551	2.5393		3.8392	4.2410	4.2410	1.0105	1.0105	2.7818	2.7818	2.0839	2.0839
N4	2.5393	1.4551	3.8392		1.0105	1.0105	4.2410	4.2410	2.0839	2.0839	2.7818	2.7818
H5	2.8991	2.1043	4.2410	1.0105		1.6850	4.5205	4.8244	2.9704	2.4216	3.2380	2.7432
H6	2.8991	2.1043	4.2410	1.0105	1.6850		4.8244	4.5205	2.4216	2.9704	2.7432	3.2380
H7	2.1043	2.8991	1.0105	4.2410	4.5205	4.8244		1.6850	3.2380	2.7432	2.9704	2.4216
H8	2.1043	2.8991	1.0105	4.2410	4.8244	4.5205	1.6850		2.7432	3.2380	2.4216	2.9704
H9	2.1677	1.0991	2.7818	2.0839	2.9704	2.4216	3.2380	2.7432		1.7562	2.5177	3.0696
H10	2.1677	1.0991	2.7818	2.0839	2.4216	2.9704	2.7432	3.2380	1.7562		3.0696	2.5177
H11	1.0991	2.1677	2.0839	2.7818	3.2380	2.7432	2.9704	2.4216	2.5177	3.0696		1.7562
H12	1.0991	2.1677	2.0839	2.7818	2.7432	3.2380	2.4216	2.9704	3.0696	2.5177	1.7562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.531	C1	C2	H9	108.873
C1	C2	H10	108.873	C1	N3	H7	116.020
C1	N3	H8	116.020	C2	C1	N3	115.531
C2	C1	H11	108.873	C2	C1	H12	108.873
C2	N4	H5	116.020	C2	N4	H6	116.020
N3	C1	H11	108.550	N3	C1	H12	108.550
N4	C2	H9	108.550	N4	C2	H10	108.550
H5	N4	H6	112.978	H7	N3	H8	112.978
H9	C2	H10	106.051	H11	C1	H12	106.051

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B3PW91/6-31G

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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Number	Element	Mulliken
1	C	-0.169
2	C	-0.169
3	N	-0.737
4	N	-0.737
5	H	0.299
6	H	0.299
7	H	0.299
8	H	0.299
9	H	0.154
10	H	0.154
11	H	0.154
12	H	0.154

	x	y	z
x	4.799	-0.832	0.000
y	-0.832	5.480	0.000
z	0.000	0.000	5.152

<r²>	108.053
(<r²>)^1/2	10.395

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)