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	hartrees
Energy at 0K	-188.358664
Energy at 298.15K
HF Energy	-188.358664
Nuclear repulsion energy	118.258474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3545	3545	4.40
2	A	3447	3447	0.73
3	A	3053	3053	0.11
4	A	1736	1736	1.33
5	A	1559	1559	15.01
6	A	1278	1278	0.21
7	A	1250	1250	0.46
8	A	1005	1005	0.05
9	A	874	874	68.39
10	A	694	694	157.81
11	A	545	545	8.37
12	A	339	339	5.22
13	A	236	236	19.99
14	B	3544	3544	18.06
15	B	3445	3445	7.26
16	B	3058	3058	41.18
17	B	1566	1566	78.67
18	B	1331	1331	19.81
19	B	1200	1200	136.49
20	B	1066	1066	1.24
21	B	781	781	35.46
22	B	638	638	292.26
23	B	342	342	44.60
24	B	244	244	96.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.310	0.591	0.046
C2	-0.310	-0.591	0.046
N3	-0.310	1.826	-0.108
N4	0.310	-1.826	-0.108
H5	1.406	0.627	0.052
H6	-1.406	-0.627	0.052
H7	-1.328	1.781	-0.093
H8	1.328	-1.781	-0.093
H9	0.024	2.551	0.525
H10	-0.024	-2.551	0.525

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3336	1.3906	2.4214	1.0965	2.1035	2.0296	2.5847	2.0381	3.1952
C2	1.3336		2.4214	1.3906	2.1035	1.0965	2.5847	2.0296	3.1952	2.0381
N3	1.3906	2.4214		3.7042	2.0990	2.6914	1.0196	3.9616	1.0189	4.4316
N4	2.4214	1.3906	3.7042		2.6914	2.0990	3.9616	1.0196	4.4316	1.0189
H5	1.0965	2.1035	2.0990	2.6914		3.0782	2.9710	2.4136	2.4151	3.5167
H6	2.1035	1.0965	2.6914	2.0990	3.0782		2.4136	2.9710	3.5167	2.4151
H7	2.0296	2.5847	1.0196	3.9616	2.9710	2.4136		4.4435	1.6747	4.5658
H8	2.5847	2.0296	3.9616	1.0196	2.4136	2.9710	4.4435		4.5658	1.6747
H9	2.0381	3.1952	1.0189	4.4316	2.4151	3.5167	1.6747	4.5658		5.1018
H10	3.1952	2.0381	4.4316	1.0189	3.5167	2.4151	4.5658	1.6747	5.1018

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.445	C1	C2	H6	119.577
C1	N3	H7	113.834	C1	N3	H9	114.652
C2	C1	N3	125.445	C2	C1	H5	119.577
C2	N4	H8	113.834	C2	N4	H10	114.652
N3	C1	H5	114.603	N4	C2	H6	114.603
H7	N3	H9	110.473	H8	N4	H10	110.473

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: SVWN/6-311+G(3df,2p)

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	0.252
2	C	0.252
3	N	-0.813
4	N	-0.813
5	H	0.141
6	H	0.141
7	H	0.206
8	H	0.206
9	H	0.213
10	H	0.213

	x	y	z	Total
	0.000	0.000	1.815	1.815
CHELPG
AIM
ESP

	x	y	z
x	6.461	-0.078	0.000
y	-0.078	10.463	0.000
z	0.000	0.000	5.276

<r²>	96.879
(<r²>)^1/2	9.843

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: SVWN/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)