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	hartrees
Energy at 0K	-190.471984
Energy at 298.15K	-190.482114
Nuclear repulsion energy	131.464493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3530	3389	0.00
2	A_g	3030	2909	0.00
3	A_g	1669	1603	0.00
4	A_g	1480	1421	0.00
5	A_g	1399	1343	0.00
6	A_g	1120	1076	0.00
7	A_g	1053	1011	0.00
8	A_g	800	768	0.00
9	A_g	459	441	0.00
10	A_u	3624	3479	3.23
11	A_u	3093	2970	71.30
12	A_u	1392	1336	0.81
13	A_u	1068	1025	0.26
14	A_u	753	723	0.48
15	A_u	257	247	119.92
16	A_u	145	139	0.13
17	B_g	3624	3480	0.00
18	B_g	3066	2943	0.00
19	B_g	1368	1314	0.00
20	B_g	1296	1244	0.00
21	B_g	939	902	0.00
22	B_g	288	277	0.00
23	B_u	3529	3388	1.05
24	B_u	3038	2917	93.75
25	B_u	1669	1602	66.23
26	B_u	1496	1436	1.56
27	B_u	1326	1274	18.09
28	B_u	1099	1055	31.27
29	B_u	829	796	427.49
30	B_u	270	259	21.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.396	0.659	0.000
C2	-0.396	-0.659	0.000
N3	-0.396	1.883	0.000
N4	0.396	-1.883	0.000
H5	0.995	-1.933	0.818
H6	0.995	-1.933	-0.818
H7	-0.995	1.933	0.818
H8	-0.995	1.933	-0.818
H9	-1.057	-0.682	-0.877
H10	-1.057	-0.682	0.877
H11	1.057	0.682	-0.877
H12	1.057	0.682	0.877

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5380	1.4577	2.5417	2.7831	2.7831	2.0562	2.0562	2.1631	2.1631	1.0985	1.0985
C2	1.5380		2.5417	1.4577	2.0562	2.0562	2.7831	2.7831	1.0985	1.0985	2.1631	2.1631
N3	1.4577	2.5417		3.8477	4.1428	4.1428	1.0153	1.0153	2.7897	2.7897	2.0791	2.0791
N4	2.5417	1.4577	3.8477		1.0153	1.0153	4.1428	4.1428	2.0791	2.0791	2.7897	2.7897
H5	2.7831	2.0562	4.1428	1.0153		1.6366	4.3478	4.6456	2.9412	2.4038	3.1170	2.6160
H6	2.7831	2.0562	4.1428	1.0153	1.6366		4.6456	4.3478	2.4038	2.9412	2.6160	3.1170
H7	2.0562	2.7831	1.0153	4.1428	4.3478	4.6456		1.6366	3.1170	2.6160	2.9412	2.4038
H8	2.0562	2.7831	1.0153	4.1428	4.6456	4.3478	1.6366		2.6160	3.1170	2.4038	2.9412
H9	2.1631	1.0985	2.7897	2.0791	2.9412	2.4038	3.1170	2.6160		1.7549	2.5151	3.0668
H10	2.1631	1.0985	2.7897	2.0791	2.4038	2.9412	2.6160	3.1170	1.7549		3.0668	2.5151
H11	1.0985	2.1631	2.0791	2.7897	3.1170	2.6160	2.9412	2.4038	2.5151	3.0668		1.7549
H12	1.0985	2.1631	2.0791	2.7897	2.6160	3.1170	2.4038	2.9412	3.0668	2.5151	1.7549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.055	C1	C2	H9	109.120
C1	C2	H10	109.120	C1	N3	H7	111.233
C1	N3	H8	111.233	C2	C1	N3	116.055
C2	C1	H11	109.120	C2	C1	H12	109.120
C2	N4	H5	111.233	C2	N4	H6	111.233
N3	C1	H11	108.027	N3	C1	H12	108.027
N4	C2	H9	108.027	N4	C2	H10	108.027
H5	N4	H6	107.407	H7	N3	H8	107.407
H9	C2	H10	106.031	H11	C1	H12	106.031

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B3PW91/6-31+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	-0.274
2	C	-0.274
3	N	-0.620
4	N	-0.620
5	H	0.294
6	H	0.294
7	H	0.294
8	H	0.294
9	H	0.153
10	H	0.153
11	H	0.153
12	H	0.153

	x	y	z
x	6.367	-0.310	0.000
y	-0.310	7.237	0.000
z	0.000	0.000	5.735

<r²>	107.493
(<r²>)^1/2	10.368

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)