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	hartrees
Energy at 0K	-189.357281
Energy at 298.15K	-189.367276
Nuclear repulsion energy	128.885510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3238	3217	0.00
2	A_g	2950	2931	0.00
3	A_g	1681	1670	0.00
4	A_g	1491	1481	0.00
5	A_g	1358	1349	0.00
6	A_g	1058	1051	0.00
7	A_g	930	924	0.00
8	A_g	700	696	0.00
9	A_g	427	425	0.00
10	A_u	3331	3309	15.07
11	A_u	3011	2992	68.44
12	A_u	1377	1368	5.37
13	A_u	1079	1072	0.41
14	A_u	741	737	1.33
15	A_u	287	285	129.22
16	A_u	144	143	0.23
17	B_g	3331	3310	0.00
18	B_g	2980	2961	0.00
19	B_g	1359	1351	0.00
20	B_g	1294	1286	0.00
21	B_g	927	921	0.00
22	B_g	317	315	0.00
23	B_u	3238	3217	17.73
24	B_u	2959	2939	81.95
25	B_u	1681	1670	25.74
26	B_u	1511	1501	1.29
27	B_u	1307	1299	7.30
28	B_u	1027	1020	8.70
29	B_u	711	706	456.07
30	B_u	243	241	19.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.408	0.669	0.000
C2	-0.408	-0.669	0.000
N3	-0.408	1.926	0.000
N4	0.408	-1.926	0.000
H5	1.019	-1.955	0.838
H6	1.019	-1.955	-0.838
H7	-1.019	1.955	0.838
H8	-1.019	1.955	-0.838
H9	-1.061	-0.689	-0.891
H10	-1.061	-0.689	0.891
H11	1.061	0.689	-0.891
H12	1.061	0.689	0.891

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5685	1.4984	2.5950	2.8218	2.8218	2.0960	2.0960	2.1910	2.1910	1.1049	1.1049
C2	1.5685		2.5950	1.4984	2.0960	2.0960	2.8218	2.8218	1.1049	1.1049	2.1910	2.1910
N3	1.4984	2.5950		3.9368	4.2188	4.2188	1.0375	1.0375	2.8385	2.8385	2.1175	2.1175
N4	2.5950	1.4984	3.9368		1.0375	1.0375	4.2188	4.2188	2.1175	2.1175	2.8385	2.8385
H5	2.8218	2.0960	4.2188	1.0375		1.6762	4.4092	4.7171	2.9870	2.4361	3.1594	2.6447
H6	2.8218	2.0960	4.2188	1.0375	1.6762		4.7171	4.4092	2.4361	2.9870	2.6447	3.1594
H7	2.0960	2.8218	1.0375	4.2188	4.4092	4.7171		1.6762	3.1594	2.6447	2.9870	2.4361
H8	2.0960	2.8218	1.0375	4.2188	4.7171	4.4092	1.6762		2.6447	3.1594	2.4361	2.9870
H9	2.1910	1.1049	2.8385	2.1175	2.9870	2.4361	3.1594	2.6447		1.7822	2.5311	3.0956
H10	2.1910	1.1049	2.8385	2.1175	2.4361	2.9870	2.6447	3.1594	1.7822		3.0956	2.5311
H11	1.1049	2.1910	2.1175	2.8385	3.1594	2.6447	2.9870	2.4361	2.5311	3.0956		1.7822
H12	1.1049	2.1910	2.1175	2.8385	2.6447	3.1594	2.4361	2.9870	3.0956	2.5311	1.7822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.569	C1	C2	H9	108.842
C1	C2	H10	108.842	C1	N3	H7	110.159
C1	N3	H8	110.159	C2	C1	N3	115.569
C2	C1	H11	108.842	C2	C1	H12	108.842
C2	N4	H5	110.159	C2	N4	H6	110.159
N3	C1	H11	107.900	N3	C1	H12	107.900
N4	C2	H9	107.900	N4	C2	H10	107.900
H5	N4	H6	107.767	H7	N3	H8	107.767
H9	C2	H10	107.510	H11	C1	H12	107.510

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: BLYP/3-21G*

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	-0.240
2	C	-0.240
3	N	-0.597
4	N	-0.597
5	H	0.243
6	H	0.243
7	H	0.243
8	H	0.243
9	H	0.175
10	H	0.175
11	H	0.175
12	H	0.175

	x	y	z
x	4.911	-0.948	0.000
y	-0.948	5.467	0.000
z	0.000	0.000	5.150

<r²>	110.653
(<r²>)^1/2	10.519

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)