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	hartrees
Energy at 0K	-150.845683
Energy at 298.15K	-150.853632
HF Energy	-150.271208
Counterpoise corrected energy	-150.845683
CP Energy at 298.15K	-150.853632
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	82.441787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3449	3370
2	A₁	3084	3013
3	A₁	1724	1684
4	A₁	1534	1498
5	A₁	1152	1126
6	A₁	906	885
7	A₁	460	449
8	A₂	3547	3465
9	A₂	1421	1388
10	A₂	1094	1069
11	A₂	294	287
12	B₁	3545	3463
13	B₁	3138	3066
14	B₁	1409	1377
15	B₁	864	844
16	B₁	418	408
17	B₂	3450	3371
18	B₂	1713	1674
19	B₂	1413	1381
20	B₂	1112	1086
21	B₂	866	846

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.559
N2	0.000	1.271	-0.185
N3	0.000	-1.271	-0.185
H4	0.890	0.000	1.212
H5	-0.890	0.000	1.212
H6	0.820	1.321	-0.797
H7	-0.820	1.321	-0.797
H8	-0.820	-1.321	-0.797
H9	0.820	-1.321	-0.797

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4731	1.4731	1.1041	1.1041	2.0629	2.0629	2.0629	2.0629
N2	1.4731		2.5429	2.0883	2.0883	1.0240	1.0240	2.7871	2.7871
N3	1.4731	2.5429		2.0883	2.0883	2.7871	2.7871	1.0240	1.0240
H4	1.1041	2.0883	2.0883		1.7803	2.4056	2.9504	2.9504	2.4056
H5	1.1041	2.0883	2.0883	1.7803		2.9504	2.4056	2.4056	2.9504
H6	2.0629	1.0240	2.7871	2.4056	2.9504		1.6392	3.1096	2.6424
H7	2.0629	1.0240	2.7871	2.9504	2.4056	1.6392		2.6424	3.1096
H8	2.0629	2.7871	1.0240	2.9504	2.4056	3.1096	2.6424		1.6392
H9	2.0629	2.7871	1.0240	2.4056	2.9504	2.6424	3.1096	1.6392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.103	C1	N2	H7	110.103
C1	N3	H8	110.103	C1	N3	H9	110.103
N2	C1	N3	119.332	N2	C1	H4	107.386
N2	C1	H5	107.386	N3	C1	H4	107.386
N3	C1	H5	107.386	H4	C1	H5	107.452
H6	N2	H7	106.341	H8	N3	H9	106.341

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: MP4/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: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)