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	hartrees
Energy at 0K	-189.004651
Energy at 298.15K
HF Energy	-188.163209
Nuclear repulsion energy	117.970425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3674	3463	4.73
2	A	3565	3361	0.94
3	A	3196	3013	0.14
4	A	1756	1656	0.17
5	A	1644	1550	20.07
6	A	1339	1262	0.32
7	A	1290	1216	0.01
8	A	1040	981	0.15
9	A	939	885	70.33
10	A	776	732	135.06
11	A	555	523	2.37
12	A	325	306	3.59
13	A	243	230	15.88
14	B	3673	3463	19.45
15	B	3564	3359	9.77
16	B	3199	3016	34.93
17	B	1652	1558	57.03
18	B	1394	1314	10.16
19	B	1199	1130	121.25
20	B	1124	1060	1.08
21	B	814	767	62.33
22	B	722	680	273.76
23	B	340	320	33.04
24	B	247	233	97.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.314	0.589	0.036
C2	-0.314	-0.589	0.036
N3	-0.314	1.841	-0.108
N4	0.314	-1.841	-0.108
H5	1.397	0.628	0.037
H6	-1.397	-0.628	0.037
H7	-1.321	1.780	-0.066
H8	1.321	-1.780	-0.066
H9	0.007	2.521	0.566
H10	-0.007	-2.521	0.566

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3358	1.4073	2.4342	1.0835	2.1001	2.0254	2.5765	2.0259	3.1711
C2	1.3358		2.4342	1.4073	2.1001	1.0835	2.5765	2.0254	3.1711	2.0259
N3	1.4073	2.4342		3.7343	2.1019	2.6998	1.0098	3.9729	1.0093	4.4235
N4	2.4342	1.4073	3.7343		2.6998	2.1019	3.9729	1.0098	4.4235	1.0093
H5	1.0835	2.1001	2.1019	2.6998		3.0634	2.9539	2.4116	2.4066	3.4879
H6	2.1001	1.0835	2.6998	2.1019	3.0634		2.4116	2.9539	3.4879	2.4066
H7	2.0254	2.5765	1.0098	3.9729	2.9539	2.4116		4.4335	1.6466	4.5410
H8	2.5765	2.0254	3.9729	1.0098	2.4116	2.9539	4.4335		4.5410	1.6466
H9	2.0259	3.1711	1.0093	4.4235	2.4066	3.4879	1.6466	4.5410		5.0412
H10	3.1711	2.0259	4.4235	1.0093	3.4879	2.4066	4.5410	1.6466	5.0412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.072	C1	C2	H6	120.110
C1	N3	H7	112.806	C1	N3	H9	112.888
C2	C1	N3	125.072	C2	C1	H5	120.110
C2	N4	H8	112.806	C2	N4	H10	112.888
N3	C1	H5	114.477	N4	C2	H6	114.477
H7	N3	H9	109.269	H8	N4	H10	109.269

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: MP2=FULL/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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All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: MP2=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)