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	hartrees
Energy at 0K	-190.543314
Energy at 298.15K	-190.553431
Nuclear repulsion energy	131.074461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3504	3379	0.00
2	A_g	3020	2912	0.00
3	A_g	1669	1609	0.00
4	A_g	1485	1432	0.00
5	A_g	1400	1350	0.00
6	A_g	1102	1063	0.00
7	A_g	1039	1002	0.00
8	A_g	795	766	0.00
9	A_g	456	439	0.00
10	A_u	3594	3465	2.13
11	A_u	3078	2968	76.84
12	A_u	1391	1341	0.71
13	A_u	1067	1029	0.32
14	A_u	756	729	0.24
15	A_u	256	247	117.03
16	A_u	144	139	0.06
17	B_g	3594	3465	0.00
18	B_g	3050	2941	0.00
19	B_g	1369	1320	0.00
20	B_g	1296	1250	0.00
21	B_g	939	905	0.00
22	B_g	288	277	0.00
23	B_u	3504	3378	1.76
24	B_u	3027	2919	94.47
25	B_u	1668	1609	63.46
26	B_u	1502	1448	0.90
27	B_u	1332	1285	20.14
28	B_u	1077	1038	31.51
29	B_u	826	796	423.88
30	B_u	272	263	21.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	0.661	0.000
C2	-0.398	-0.661	0.000
N3	-0.398	1.890	0.000
N4	0.398	-1.890	0.000
H5	0.997	-1.943	0.820
H6	0.997	-1.943	-0.820
H7	-0.997	1.943	0.820
H8	-0.997	1.943	-0.820
H9	-1.057	-0.684	-0.879
H10	-1.057	-0.684	0.879
H11	1.057	0.684	-0.879
H12	1.057	0.684	0.879

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5428	1.4641	2.5504	2.7950	2.7950	2.0645	2.0645	2.1672	2.1672	1.0982	1.0982
C2	1.5428		2.5504	1.4641	2.0645	2.0645	2.7950	2.7950	1.0982	1.0982	2.1672	2.1672
N3	1.4641	2.5504		3.8622	4.1604	4.1604	1.0166	1.0166	2.7983	2.7983	2.0834	2.0834
N4	2.5504	1.4641	3.8622		1.0166	1.0166	4.1604	4.1604	2.0834	2.0834	2.7983	2.7983
H5	2.7950	2.0645	4.1604	1.0166		1.6397	4.3679	4.6656	2.9471	2.4092	3.1293	2.6289
H6	2.7950	2.0645	4.1604	1.0166	1.6397		4.6656	4.3679	2.4092	2.9471	2.6289	3.1293
H7	2.0645	2.7950	1.0166	4.1604	4.3679	4.6656		1.6397	3.1293	2.6289	2.9471	2.4092
H8	2.0645	2.7950	1.0166	4.1604	4.6656	4.3679	1.6397		2.6289	3.1293	2.4092	2.9471
H9	2.1672	1.0982	2.7983	2.0834	2.9471	2.4092	3.1293	2.6289		1.7570	2.5177	3.0702
H10	2.1672	1.0982	2.7983	2.0834	2.4092	2.9471	2.6289	3.1293	1.7570		3.0702	2.5177
H11	1.0982	2.1672	2.0834	2.7983	3.1293	2.6289	2.9471	2.4092	2.5177	3.0702		1.7570
H12	1.0982	2.1672	2.0834	2.7983	2.6289	3.1293	2.4092	2.9471	3.0702	2.5177	1.7570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.008	C1	C2	H9	109.131
C1	C2	H10	109.131	C1	N3	H7	111.373
C1	N3	H8	111.373	C2	C1	N3	116.008
C2	C1	H11	109.131	C2	C1	H12	109.131
C2	N4	H5	111.373	C2	N4	H6	111.373
N3	C1	H11	107.944	N3	C1	H12	107.944
N4	C2	H9	107.944	N4	C2	H10	107.944
H5	N4	H6	107.509	H7	N3	H8	107.509
H9	C2	H10	106.246	H11	C1	H12	106.246

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.221
2	C	-0.221
3	N	-0.618
4	N	-0.618
5	H	0.284
6	H	0.284
7	H	0.284
8	H	0.284
9	H	0.135
10	H	0.135
11	H	0.135
12	H	0.135

	x	y	z
x	6.481	-0.293	0.000
y	-0.293	7.398	0.000
z	0.000	0.000	5.810

<r²>	108.366
(<r²>)^1/2	10.410

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)