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	hartrees
Energy at 0K	-190.526154
Energy at 298.15K	-190.536369
Nuclear repulsion energy	131.900490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3529	3376	0.00
2	A_g	3030	2899	0.00
3	A_g	1672	1600	0.00
4	A_g	1484	1419	0.00
5	A_g	1405	1344	0.00
6	A_g	1134	1084	0.00
7	A_g	1070	1024	0.00
8	A_g	839	802	0.00
9	A_g	460	440	0.00
10	A_u	3609	3452	0.05
11	A_u	3088	2955	77.02
12	A_u	1404	1343	2.27
13	A_u	1080	1033	0.18
14	A_u	760	727	0.63
15	A_u	265	253	105.27
16	A_u	148	141	0.24
17	B_g	3609	3453	0.00
18	B_g	3060	2927	0.00
19	B_g	1379	1319	0.00
20	B_g	1306	1249	0.00
21	B_g	948	907	0.00
22	B_g	304	291	0.00
23	B_u	3528	3375	1.06
24	B_u	3038	2907	95.82
25	B_u	1671	1599	52.14
26	B_u	1501	1436	1.51
27	B_u	1331	1274	19.73
28	B_u	1109	1061	18.68
29	B_u	871	834	413.27
30	B_u	266	255	19.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.395	0.656	0.000
C2	-0.395	-0.656	0.000
N3	-0.395	1.878	0.000
N4	0.395	-1.878	0.000
H5	1.002	-1.901	0.811
H6	1.002	-1.901	-0.811
H7	-1.002	1.901	0.811
H8	-1.002	1.901	-0.811
H9	-1.056	-0.675	-0.875
H10	-1.056	-0.675	0.875
H11	1.056	0.675	-0.875
H12	1.056	0.675	0.875

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5324	1.4553	2.5343	2.7508	2.7508	2.0397	2.0397	2.1549	2.1549	1.0962	1.0962
C2	1.5324		2.5343	1.4553	2.0397	2.0397	2.7508	2.7508	1.0962	1.0962	2.1549	2.1549
N3	1.4553	2.5343		3.8384	4.1101	4.1101	1.0133	1.0133	2.7784	2.7784	2.0780	2.0780
N4	2.5343	1.4553	3.8384		1.0133	1.0133	4.1101	4.1101	2.0780	2.0780	2.7784	2.7784
H5	2.7508	2.0397	4.1101	1.0133		1.6228	4.2980	4.5942	2.9292	2.3960	3.0795	2.5776
H6	2.7508	2.0397	4.1101	1.0133	1.6228		4.5942	4.2980	2.3960	2.9292	2.5776	3.0795
H7	2.0397	2.7508	1.0133	4.1101	4.2980	4.5942		1.6228	3.0795	2.5776	2.9292	2.3960
H8	2.0397	2.7508	1.0133	4.1101	4.5942	4.2980	1.6228		2.5776	3.0795	2.3960	2.9292
H9	2.1549	1.0962	2.7784	2.0780	2.9292	2.3960	3.0795	2.5776		1.7497	2.5061	3.0564
H10	2.1549	1.0962	2.7784	2.0780	2.3960	2.9292	2.5776	3.0795	1.7497		3.0564	2.5061
H11	1.0962	2.1549	2.0780	2.7784	3.0795	2.5776	2.9292	2.3960	2.5061	3.0564		1.7497
H12	1.0962	2.1549	2.0780	2.7784	2.5776	3.0795	2.3960	2.9292	3.0564	2.5061	1.7497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.019	C1	C2	H9	108.996
C1	C2	H10	108.996	C1	N3	H7	110.144
C1	N3	H8	110.144	C2	C1	N3	116.019
C2	C1	H11	108.996	C2	C1	H12	108.996
C2	N4	H5	110.144	C2	N4	H6	110.144
N3	C1	H11	108.234	N3	C1	H12	108.234
N4	C2	H9	108.234	N4	C2	H10	108.234
H5	N4	H6	106.405	H7	N3	H8	106.405
H9	C2	H10	105.894	H11	C1	H12	105.894

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: mPW1PW91/6-311G**

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	-0.148
2	C	-0.148
3	N	-0.466
4	N	-0.466
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	5.775	-0.541	0.000
y	-0.541	6.260	0.000
z	0.000	0.000	5.579

<r²>	106.238
(<r²>)^1/2	10.307

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)