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	hartrees
Energy at 0K	-189.327899
Energy at 298.15K	-189.338350
Nuclear repulsion energy	132.426174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3717	3377	0.00
2	A_g	3156	2867	0.00
3	A_g	1801	1636	0.00
4	A_g	1609	1462	0.00
5	A_g	1538	1397	0.00
6	A_g	1191	1082	0.00
7	A_g	1145	1040	0.00
8	A_g	906	824	0.00
9	A_g	491	446	0.00
10	A_u	3794	3447	0.53
11	A_u	3206	2912	115.31
12	A_u	1509	1371	0.90
13	A_u	1147	1042	0.36
14	A_u	813	739	0.04
15	A_u	278	253	109.01
16	A_u	155	141	0.79
17	B_g	3795	3447	0.00
18	B_g	3174	2884	0.00
19	B_g	1482	1347	0.00
20	B_g	1405	1277	0.00
21	B_g	1013	921	0.00
22	B_g	309	281	0.00
23	B_u	3717	3377	0.01
24	B_u	3160	2871	119.88
25	B_u	1799	1635	59.43
26	B_u	1624	1476	0.73
27	B_u	1445	1312	32.19
28	B_u	1157	1051	33.84
29	B_u	948	861	425.09
30	B_u	300	273	18.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	0.654	0.000
C2	-0.398	-0.654	0.000
N3	-0.398	1.869	0.000
N4	0.398	-1.869	0.000
H5	0.991	-1.909	0.805
H6	0.991	-1.909	-0.805
H7	-0.991	1.909	0.805
H8	-0.991	1.909	-0.805
H9	-1.050	-0.676	-0.870
H10	-1.050	-0.676	0.870
H11	1.050	0.676	-0.870
H12	1.050	0.676	0.870

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5310	1.4533	2.5228	2.7507	2.7507	2.0382	2.0382	2.1504	2.1504	1.0878	1.0878
C2	1.5310		2.5228	1.4533	2.0382	2.0382	2.7507	2.7507	1.0878	1.0878	2.1504	2.1504
N3	1.4533	2.5228		3.8221	4.1051	4.1051	1.0007	1.0007	2.7674	2.7674	2.0691	2.0691
N4	2.5228	1.4533	3.8221		1.0007	1.0007	4.1051	4.1051	2.0691	2.0691	2.7674	2.7674
H5	2.7507	2.0382	4.1051	1.0007		1.6106	4.3016	4.5932	2.9149	2.3859	3.0808	2.5861
H6	2.7507	2.0382	4.1051	1.0007	1.6106		4.5932	4.3016	2.3859	2.9149	2.5861	3.0808
H7	2.0382	2.7507	1.0007	4.1051	4.3016	4.5932		1.6106	3.0808	2.5861	2.9149	2.3859
H8	2.0382	2.7507	1.0007	4.1051	4.5932	4.3016	1.6106		2.5861	3.0808	2.3859	2.9149
H9	2.1504	1.0878	2.7674	2.0691	2.9149	2.3859	3.0808	2.5861		1.7410	2.4980	3.0448
H10	2.1504	1.0878	2.7674	2.0691	2.3859	2.9149	2.5861	3.0808	1.7410		3.0448	2.4980
H11	1.0878	2.1504	2.0691	2.7674	3.0808	2.5861	2.9149	2.3859	2.4980	3.0448		1.7410
H12	1.0878	2.1504	2.0691	2.7674	2.5861	3.0808	2.3859	2.9149	3.0448	2.4980	1.7410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.394	C1	C2	H9	109.221
C1	C2	H10	109.221	C1	N3	H7	110.976
C1	N3	H8	110.976	C2	C1	N3	115.394
C2	C1	H11	109.221	C2	C1	H12	109.221
C2	N4	H5	110.976	C2	N4	H6	110.976
N3	C1	H11	108.162	N3	C1	H12	108.162
N4	C2	H9	108.162	N4	C2	H10	108.162
H5	N4	H6	107.172	H7	N3	H8	107.172
H9	C2	H10	106.296	H11	C1	H12	106.296

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: HF/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	-0.022
2	C	-0.022
3	N	-0.498
4	N	-0.498
5	H	0.181
6	H	0.181
7	H	0.181
8	H	0.181
9	H	0.080
10	H	0.080
11	H	0.080
12	H	0.080

	x	y	z
x	5.378	-0.527	0.000
y	-0.527	5.690	0.000
z	0.000	0.000	5.304

<r²>	105.828
(<r²>)^1/2	10.287

All results from a given calculation for C2H8N2 (Ethylenediamine)

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

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)