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	hartrees
Energy at 0K	-188.175676
Energy at 298.15K
HF Energy	-188.175676
Nuclear repulsion energy	117.097662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3611	3471	1.65
2	A	3497	3362	1.41
3	A	3156	3034	0.14
4	A	1750	1682	0.56
5	A	1703	1637	14.63
6	A	1357	1304	1.82
7	A	1288	1238	0.00
8	A	1023	983	0.49
9	A	951	914	87.86
10	A	583	560	226.04
11	A	552	530	137.38
12	A	353	340	6.40
13	A	245	236	26.94
14	B	3610	3470	4.15
15	B	3495	3359	4.42
16	B	3162	3039	52.60
17	B	1706	1640	71.51
18	B	1406	1352	2.78
19	B	1188	1142	113.03
20	B	1131	1087	6.10
21	B	813	782	20.55
22	B	500	481	340.09
23	B	339	326	30.02
24	B	195	187	236.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.594	0.043
C2	-0.313	-0.594	0.043
N3	-0.313	1.852	-0.091
N4	0.313	-1.852	-0.091
H5	1.401	0.633	0.052
H6	-1.401	-0.633	0.052
H7	-1.325	1.843	-0.180
H8	1.325	-1.843	-0.180
H9	0.038	2.595	0.508
H10	-0.038	-2.595	0.508

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3430	1.4114	2.4502	1.0889	2.1078	2.0719	2.6489	2.0729	3.2423
C2	1.3430		2.4502	1.4114	2.1078	1.0889	2.6489	2.0719	3.2423	2.0729
N3	1.4114	2.4502		3.7572	2.1080	2.7169	1.0165	4.0435	1.0168	4.4963
N4	2.4502	1.4114	3.7572		2.7169	2.1080	4.0435	1.0165	4.4963	1.0168
H5	1.0889	2.1078	2.1080	2.7169		3.0745	2.9917	2.4883	2.4326	3.5637
H6	2.1078	1.0889	2.7169	2.1080	3.0745		2.4883	2.9917	3.5637	2.4326
H7	2.0719	2.6489	1.0165	4.0435	2.9917	2.4883		4.5407	1.7019	4.6726
H8	2.6489	2.0719	4.0435	1.0165	2.4883	2.9917	4.5407		4.6726	1.7019
H9	2.0729	3.2423	1.0168	4.4963	2.4326	3.5637	1.7019	4.6726		5.1911
H10	3.2423	2.0729	4.4963	1.0168	3.5637	2.4326	4.6726	1.7019	5.1911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.628	C1	C2	H6	119.795
C1	N3	H7	116.219	C1	N3	H9	116.282
C2	C1	N3	125.628	C2	C1	H5	119.795
C2	N4	H8	116.219	C2	N4	H10	116.282
N3	C1	H5	114.321	N4	C2	H6	114.321
H7	N3	H9	113.650	H8	N4	H10	113.650

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3PW91/3-21G

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	-0.034
2	C	-0.034
3	N	-0.757
4	N	-0.757
5	H	0.196
6	H	0.196
7	H	0.298
8	H	0.298
9	H	0.297
10	H	0.297

	x	y	z	Total
	0.000	0.000	2.010	2.010
CHELPG
AIM
ESP

	x	y	z
x	4.649	0.139	0.000
y	0.139	8.147	0.000
z	0.000	0.000	1.764

<r²>	98.180
(<r²>)^1/2	9.909

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)