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	hartrees
Energy at 0K	-188.144943
Energy at 298.15K
HF Energy	-188.144943
Nuclear repulsion energy	117.464594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3639	3481	2.11
2	A	3524	3372	1.64
3	A	3182	3044	0.13
4	A	1769	1692	0.90
5	A	1709	1635	13.83
6	A	1360	1301	1.78
7	A	1291	1236	0.02
8	A	1027	982	0.37
9	A	959	918	85.75
10	A	580	555	157.29
11	A	544	521	219.38
12	A	354	338	7.59
13	A	244	234	28.21
14	B	3638	3481	5.17
15	B	3522	3370	6.55
16	B	3187	3049	51.75
17	B	1711	1637	75.95
18	B	1409	1348	3.58
19	B	1196	1144	122.38
20	B	1131	1082	5.68
21	B	824	789	21.01
22	B	488	467	327.41
23	B	335	320	26.71
24	B	185	177	239.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.591	0.042
C2	-0.312	-0.591	0.042
N3	-0.312	1.846	-0.088
N4	0.312	-1.846	-0.088
H5	1.397	0.629	0.051
H6	-1.397	-0.629	0.051
H7	-1.321	1.840	-0.190
H8	1.321	-1.840	-0.190
H9	0.037	2.590	0.504
H10	-0.037	-2.590	0.504

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3377	1.4074	2.4408	1.0857	2.1006	2.0683	2.6420	2.0699	3.2339
C2	1.3377		2.4408	1.4074	2.1006	1.0857	2.6420	2.0683	3.2339	2.0699
N3	1.4074	2.4408		3.7442	2.1034	2.7057	1.0133	4.0323	1.0134	4.4840
N4	2.4408	1.4074	3.7442		2.7057	2.1034	4.0323	1.0133	4.4840	1.0134
H5	1.0857	2.1006	2.1034	2.7057		3.0647	2.9852	2.4813	2.4298	3.5529
H6	2.1006	1.0857	2.7057	2.1034	3.0647		2.4813	2.9852	3.5529	2.4298
H7	2.0683	2.6420	1.0133	4.0323	2.9852	2.4813		4.5290	1.6991	4.6640
H8	2.6420	2.0683	4.0323	1.0133	2.4813	2.9852	4.5290		4.6640	1.6991
H9	2.0699	3.2339	1.0134	4.4840	2.4298	3.5529	1.6991	4.6640		5.1809
H10	3.2339	2.0699	4.4840	1.0134	3.5529	2.4298	4.6640	1.6991	5.1809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.509	C1	C2	H6	119.810
C1	N3	H7	116.448	C1	N3	H9	116.585
C2	C1	N3	125.509	C2	C1	H5	119.810
C2	N4	H8	116.448	C2	N4	H10	116.585
N3	C1	H5	114.440	N4	C2	H6	114.440
H7	N3	H9	113.931	H8	N4	H10	113.931

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B1B95/3-21G

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	-0.026
2	C	-0.026
3	N	-0.760
4	N	-0.760
5	H	0.194
6	H	0.194
7	H	0.296
8	H	0.296
9	H	0.296
10	H	0.296

	x	y	z	Total
	0.000	0.000	1.958	1.958
CHELPG
AIM
ESP

	x	y	z
x	4.618	0.154	0.000
y	0.154	8.037	0.000
z	0.000	0.000	1.748

<r²>	97.646
(<r²>)^1/2	9.882

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)