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	hartrees
Energy at 0K	-190.505486
Energy at 298.15K	-190.515682
Nuclear repulsion energy	131.629942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3503	3374	0.00
2	A_g	3013	2902	0.00
3	A_g	1663	1602	0.00
4	A_g	1476	1422	0.00
5	A_g	1394	1343	0.00
6	A_g	1123	1082	0.00
7	A_g	1057	1018	0.00
8	A_g	833	802	0.00
9	A_g	456	439	0.00
10	A_u	3582	3450	0.00
11	A_u	3070	2957	77.31
12	A_u	1396	1344	2.32
13	A_u	1075	1035	0.17
14	A_u	757	729	0.68
15	A_u	266	256	104.76
16	A_u	146	141	0.18
17	B_g	3583	3451	0.00
18	B_g	3041	2929	0.00
19	B_g	1371	1320	0.00
20	B_g	1298	1250	0.00
21	B_g	943	908	0.00
22	B_g	305	294	0.00
23	B_u	3503	3373	1.46
24	B_u	3021	2910	96.40
25	B_u	1662	1601	50.67
26	B_u	1494	1438	1.48
27	B_u	1324	1275	19.14
28	B_u	1096	1056	16.89
29	B_u	866	834	412.81
30	B_u	264	255	18.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.396	0.658	0.000
C2	-0.396	-0.658	0.000
N3	-0.396	1.883	0.000
N4	0.396	-1.883	0.000
H5	1.004	-1.905	0.813
H6	1.004	-1.905	-0.813
H7	-1.004	1.905	0.813
H8	-1.004	1.905	-0.813
H9	-1.057	-0.678	-0.876
H10	-1.057	-0.678	0.876
H11	1.057	0.678	-0.876
H12	1.057	0.678	0.876

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5357	1.4585	2.5408	2.7568	2.7568	2.0434	2.0434	2.1592	2.1592	1.0975	1.0975
C2	1.5357		2.5408	1.4585	2.0434	2.0434	2.7568	2.7568	1.0975	1.0975	2.1592	2.1592
N3	1.4585	2.5408		3.8480	4.1194	4.1194	1.0152	1.0152	2.7859	2.7859	2.0808	2.0808
N4	2.5408	1.4585	3.8480		1.0152	1.0152	4.1194	4.1194	2.0808	2.0808	2.7859	2.7859
H5	2.7568	2.0434	4.1194	1.0152		1.6251	4.3072	4.6036	2.9334	2.3995	3.0865	2.5844
H6	2.7568	2.0434	4.1194	1.0152	1.6251		4.6036	4.3072	2.3995	2.9334	2.5844	3.0865
H7	2.0434	2.7568	1.0152	4.1194	4.3072	4.6036		1.6251	3.0865	2.5844	2.9334	2.3995
H8	2.0434	2.7568	1.0152	4.1194	4.6036	4.3072	1.6251		2.5844	3.0865	2.3995	2.9334
H9	2.1592	1.0975	2.7859	2.0808	2.9334	2.3995	3.0865	2.5844		1.7519	2.5111	3.0618
H10	2.1592	1.0975	2.7859	2.0808	2.3995	2.9334	2.5844	3.0865	1.7519		3.0618	2.5111
H11	1.0975	2.1592	2.0808	2.7859	3.0865	2.5844	2.9334	2.3995	2.5111	3.0618		1.7519
H12	1.0975	2.1592	2.0808	2.7859	2.5844	3.0865	2.3995	2.9334	3.0618	2.5111	1.7519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.092	C1	C2	H9	109.029
C1	C2	H10	109.029	C1	N3	H7	110.103
C1	N3	H8	110.103	C2	C1	N3	116.092
C2	C1	H11	109.029	C2	C1	H12	109.029
C2	N4	H5	110.103	C2	N4	H6	110.103
N3	C1	H11	108.161	N3	C1	H12	108.161
N4	C2	H9	108.161	N4	C2	H10	108.161
H5	N4	H6	106.339	H7	N3	H8	106.339
H9	C2	H10	105.894	H11	C1	H12	105.894

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B3PW91/6-311G**

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	-0.150
2	C	-0.150
3	N	-0.463
4	N	-0.463
5	H	0.192
6	H	0.192
7	H	0.192
8	H	0.192
9	H	0.115
10	H	0.115
11	H	0.115
12	H	0.115

	x	y	z
x	5.819	-0.548	0.000
y	-0.548	6.326	0.000
z	0.000	0.000	5.615

<r²>	106.660
(<r²>)^1/2	10.328

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B3PW91/6-311G**

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)