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	hartrees
Energy at 0K	-190.407367
Energy at 298.15K	-190.417253
Nuclear repulsion energy	131.285819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3609	3416	0.00
2	A_g	3051	2888	0.00
3	A_g	1720	1629	0.00
4	A_g	1527	1446	0.00
5	A_g	1426	1350	0.00
6	A_g	1151	1090	0.00
7	A_g	1048	992	0.00
8	A_g	553	523	0.00
9	A_g	466	441	0.00
10	A_u	3731	3532	4.48
11	A_u	3122	2955	84.07
12	A_u	1401	1326	0.03
13	A_u	1075	1017	1.23
14	A_u	766	725	2.49
15	A_u	250	237	114.55
16	A_u	146	138	0.00
17	B_g	3732	3532	0.00
18	B_g	3092	2926	0.00
19	B_g	1388	1314	0.00
20	B_g	1315	1245	0.00
21	B_g	942	892	0.00
22	B_g	278	263	0.00
23	B_u	3609	3416	0.79
24	B_u	3060	2897	107.19
25	B_u	1721	1630	66.77
26	B_u	1543	1461	3.08
27	B_u	1367	1294	6.18
28	B_u	1136	1075	44.24
29	B_u	557	527	737.01
30	B_u	269	255	33.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	0.660	0.000
C2	-0.399	-0.660	0.000
N3	-0.399	1.872	0.000
N4	0.399	-1.872	0.000
H5	0.922	-2.060	0.841
H6	0.922	-2.060	-0.841
H7	-0.922	2.060	0.841
H8	-0.922	2.060	-0.841
H9	-1.059	-0.676	-0.877
H10	-1.059	-0.676	0.877
H11	1.059	0.676	-0.877
H12	1.059	0.676	0.877

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5428	1.4521	2.5323	2.8948	2.8948	2.1015	2.1015	2.1633	2.1633	1.0973	1.0973
C2	1.5428		2.5323	1.4521	2.1015	2.1015	2.8948	2.8948	1.0973	1.0973	2.1633	2.1633
N3	1.4521	2.5323		3.8292	4.2332	4.2332	1.0084	1.0084	2.7743	2.7743	2.0806	2.0806
N4	2.5323	1.4521	3.8292		1.0084	1.0084	4.2332	4.2332	2.0806	2.0806	2.7743	2.7743
H5	2.8948	2.1015	4.2332	1.0084		1.6830	4.5144	4.8179	2.9658	2.4177	3.2334	2.7393
H6	2.8948	2.1015	4.2332	1.0084	1.6830		4.8179	4.5144	2.4177	2.9658	2.7393	3.2334
H7	2.1015	2.8948	1.0084	4.2332	4.5144	4.8179		1.6830	3.2334	2.7393	2.9658	2.4177
H8	2.1015	2.8948	1.0084	4.2332	4.8179	4.5144	1.6830		2.7393	3.2334	2.4177	2.9658
H9	2.1633	1.0973	2.7743	2.0806	2.9658	2.4177	3.2334	2.7393		1.7533	2.5128	3.0640
H10	2.1633	1.0973	2.7743	2.0806	2.4177	2.9658	2.7393	3.2334	1.7533		3.0640	2.5128
H11	1.0973	2.1633	2.0806	2.7743	3.2334	2.7393	2.9658	2.4177	2.5128	3.0640		1.7533
H12	1.0973	2.1633	2.0806	2.7743	2.7393	3.2334	2.4177	2.9658	3.0640	2.5128	1.7533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.432	C1	C2	H9	108.883
C1	C2	H10	108.883	C1	N3	H7	116.151
C1	N3	H8	116.151	C2	C1	N3	115.432
C2	C1	H11	108.883	C2	C1	H12	108.883
C2	N4	H5	116.151	C2	N4	H6	116.151
N3	C1	H11	108.595	N3	C1	H12	108.595
N4	C2	H9	108.595	N4	C2	H10	108.595
H5	N4	H6	113.124	H7	N3	H8	113.124
H9	C2	H10	106.048	H11	C1	H12	106.048

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: mPW1PW91/6-31G

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	-0.174
2	C	-0.174
3	N	-0.749
4	N	-0.749
5	H	0.303
6	H	0.303
7	H	0.303
8	H	0.303
9	H	0.159
10	H	0.159
11	H	0.159
12	H	0.159

	x	y	z
x	4.748	-0.818	0.000
y	-0.818	5.411	0.000
z	0.000	0.000	5.099

<r²>	107.653
(<r²>)^1/2	10.376

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: mPW1PW91/6-31G

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)