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	hartrees
Energy at 0K	-150.802601
Energy at 298.15K	-150.810574
HF Energy	-150.272242
Counterpoise corrected energy	-150.802601
CP Energy at 298.15K	-150.810574
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	82.799090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3502	3394	0.48
2	A₁	3102	3007	30.02
3	A₁	1648	1597	41.97
4	A₁	1486	1440	0.24
5	A₁	1100	1066	33.64
6	A₁	846	820	2.72
7	A₁	451	437	2.40
8	A₂	3608	3497	0.00
9	A₂	1397	1354	0.00
10	A₂	1067	1034	0.00
11	A₂	256	248	0.00
12	B₁	3605	3494	4.74
13	B₁	3161	3063	21.65
14	B₁	1361	1319	0.60
15	B₁	851	825	0.59
16	B₁	383	371	83.11
17	B₂	3503	3395	4.02
18	B₂	1640	1589	7.00
19	B₂	1383	1340	18.56
20	B₂	1103	1069	88.47
21	B₂	780	756	360.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.554
N2	0.000	1.265	-0.184
N3	0.000	-1.265	-0.184
H4	0.886	0.000	1.206
H5	-0.886	0.000	1.206
H6	0.819	1.326	-0.790
H7	-0.819	1.326	-0.790
H8	-0.819	-1.326	-0.790
H9	0.819	-1.326	-0.790

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4649	1.4649	1.0996	1.0996	2.0582	2.0582	2.0582	2.0582
N2	1.4649		2.5303	2.0779	2.0779	1.0202	1.0202	2.7842	2.7842
N3	1.4649	2.5303		2.0779	2.0779	2.7842	2.7842	1.0202	1.0202
H4	1.0996	2.0779	2.0779		1.7714	2.3974	2.9406	2.9406	2.3974
H5	1.0996	2.0779	2.0779	1.7714		2.9406	2.3974	2.3974	2.9406
H6	2.0582	1.0202	2.7842	2.3974	2.9406		1.6370	3.1169	2.6524
H7	2.0582	1.0202	2.7842	2.9406	2.3974	1.6370		2.6524	3.1169
H8	2.0582	2.7842	1.0202	2.9406	2.3974	3.1169	2.6524		1.6370
H9	2.0582	2.7842	1.0202	2.3974	2.9406	2.6524	3.1169	1.6370

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.553	C1	N2	H7	110.553
C1	N3	H8	110.553	C1	N3	H9	110.553
N2	C1	N3	119.449	N2	C1	H4	107.384
N2	C1	H5	107.384	N3	C1	H4	107.384
N3	C1	H5	107.384	H4	C1	H5	107.315
H6	N2	H7	106.704	H8	N3	H9	106.704

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: MP2=FULL/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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All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)