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	hartrees
Energy at 0K	-189.330077
Energy at 298.15K
HF Energy	-189.330077
Nuclear repulsion energy	117.107061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3595	3488	1.82
2	A	3497	3393	0.03
3	A	3146	3053	0.07
4	A	1748	1696	0.58
5	A	1624	1576	17.06
6	A	1326	1287	0.52
7	A	1270	1233	0.00
8	A	1026	995	0.02
9	A	924	897	68.60
10	A	766	744	132.39
11	A	550	534	1.90
12	A	322	313	3.52
13	A	242	234	15.18
14	B	3594	3488	6.83
15	B	3495	3392	2.49
16	B	3151	3058	45.59
17	B	1631	1583	50.04
18	B	1381	1340	9.40
19	B	1166	1131	130.08
20	B	1116	1083	2.28
21	B	811	787	51.49
22	B	712	691	297.91
23	B	341	331	30.78
24	B	248	241	98.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.314	0.594	0.037
C2	-0.314	-0.594	0.037
N3	-0.314	1.856	-0.109
N4	0.314	-1.856	-0.109
H5	1.407	0.640	0.039
H6	-1.407	-0.640	0.039
H7	-1.327	1.804	-0.054
H8	1.327	-1.804	-0.054
H9	0.023	2.546	0.556
H10	-0.023	-2.546	0.556

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3431	1.4172	2.4540	1.0938	2.1171	2.0409	2.6047	2.0411	3.2003
C2	1.3431		2.4540	1.4172	2.1171	1.0938	2.6047	2.0409	3.2003	2.0411
N3	1.4172	2.4540		3.7645	2.1118	2.7288	1.0159	4.0113	1.0160	4.4616
N4	2.4540	1.4172	3.7645		2.7288	2.1118	4.0113	1.0159	4.4616	1.0160
H5	1.0938	2.1171	2.1118	2.7288		3.0908	2.9724	2.4473	2.4116	3.5303
H6	2.1171	1.0938	2.7288	2.1118	3.0908		2.4473	2.9724	3.5303	2.4116
H7	2.0409	2.6047	1.0159	4.0113	2.9724	2.4473		4.4790	1.6567	4.5825
H8	2.6047	2.0409	4.0113	1.0159	2.4473	2.9724	4.4790		4.5825	1.6567
H9	2.0411	3.2003	1.0160	4.4616	2.4116	3.5303	1.6567	4.5825		5.0926
H10	3.2003	2.0411	4.4616	1.0160	3.5303	2.4116	4.5825	1.6567	5.0926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.488	C1	C2	H6	120.286
C1	N3	H7	112.996	C1	N3	H9	113.009
C2	C1	N3	125.488	C2	C1	H5	120.286
C2	N4	H8	112.996	C2	N4	H10	113.009
N3	C1	H5	113.882	N4	C2	H6	113.882
H7	N3	H9	109.252	H8	N4	H10	109.252

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3LYP/aug-cc-pVDZ

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	0.917
2	C	0.917
3	N	-0.111
4	N	-0.111
5	H	-0.634
6	H	-0.634
7	H	-0.088
8	H	-0.088
9	H	-0.083
10	H	-0.083

	x	y	z	Total
	0.000	0.000	1.988	1.988
CHELPG
AIM
ESP

	x	y	z
x	6.406	0.016	0.000
y	0.016	10.336	0.000
z	0.000	0.000	5.334

<r²>	99.016
(<r²>)^1/2	9.951

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)