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	hartrees
Energy at 0K	-150.788381
Energy at 298.15K	-150.796494
HF Energy	-150.256055
Counterpoise corrected energy	-150.788381
CP Energy at 298.15K	-150.796494
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	82.850781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3479	3338	4.48
2	A₁	3077	2953	46.18
3	A₁	1674	1606	30.59
4	A₁	1495	1435	0.02
5	A₁	1149	1103	25.98
6	A₁	919	882	0.87
7	A₁	458	440	8.13
8	A₂	3563	3419	0.00
9	A₂	1413	1356	0.00
10	A₂	1094	1049	0.00
11	A₂	285	273	0.00
12	B₁	3562	3417	1.78
13	B₁	3129	3002	33.06
14	B₁	1394	1338	1.35
15	B₁	864	829	1.74
16	B₁	416	399	90.03
17	B₂	3479	3338	0.01
18	B₂	1668	1600	1.08
19	B₂	1403	1346	33.62
20	B₂	1128	1083	59.45
21	B₂	882	847	345.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.560
N2	0.000	1.264	-0.183
N3	0.000	-1.264	-0.183
H4	0.888	0.000	1.217
H5	-0.888	0.000	1.217
H6	0.812	1.275	-0.808
H7	-0.812	1.275	-0.808
H8	-0.812	-1.275	-0.808
H9	0.812	-1.275	-0.808

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4657	1.4657	1.1050	1.1050	2.0389	2.0389	2.0389	2.0389
N2	1.4657		2.5273	2.0846	2.0846	1.0255	1.0255	2.7378	2.7378
N3	1.4657	2.5273		2.0846	2.0846	2.7378	2.7378	1.0255	1.0255
H4	1.1050	2.0846	2.0846		1.7764	2.3946	2.9361	2.9361	2.3946
H5	1.1050	2.0846	2.0846	1.7764		2.9361	2.3946	2.3946	2.9361
H6	2.0389	1.0255	2.7378	2.3946	2.9361		1.6249	3.0235	2.5498
H7	2.0389	1.0255	2.7378	2.9361	2.3946	1.6249		2.5498	3.0235
H8	2.0389	2.7378	1.0255	2.9361	2.3946	3.0235	2.5498		1.6249
H9	2.0389	2.7378	1.0255	2.3946	2.9361	2.5498	3.0235	1.6249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.574	C1	N2	H7	108.574
C1	N3	H8	108.574	C1	N3	H9	108.574
N2	C1	N3	119.121	N2	C1	H4	107.542
N2	C1	H5	107.542	N3	C1	H4	107.542
N3	C1	H5	107.542	H4	C1	H5	106.984
H6	N2	H7	104.797	H8	N3	H9	104.797

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: QCISD/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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All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)