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	hartrees
Energy at 0K	-150.875145
Energy at 298.15K	-150.883171
HF Energy	-150.300014
Counterpoise corrected energy	-150.875145
CP Energy at 298.15K	-150.883171
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.013733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3491	3362
2	A₁	3085	2971
3	A₁	1664	1602
4	A₁	1495	1439
5	A₁	1122	1080
6	A₁	880	847
7	A₁	452	435
8	A₂	3588	3455
9	A₂	1416	1363
10	A₂	1083	1043
11	A₂	260	251
12	B₁	3587	3454
13	B₁	3138	3022
14	B₁	1385	1333
15	B₁	859	828
16	B₁	397	383
17	B₂	3491	3362
18	B₂	1654	1593
19	B₂	1423	1370
20	B₂	1088	1048
21	B₂	835	804

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.557
N2	0.000	1.262	-0.185
N3	0.000	-1.262	-0.185
H4	0.881	0.000	1.202
H5	-0.881	0.000	1.202
H6	0.817	1.313	-0.788
H7	-0.817	1.313	-0.788
H8	-0.817	-1.313	-0.788
H9	0.817	-1.313	-0.788

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4646	1.4646	1.0922	1.0922	2.0496	2.0496	2.0496	2.0496
N2	1.4646		2.5247	2.0726	2.0726	1.0164	1.0164	2.7683	2.7683
N3	1.4646	2.5247		2.0726	2.0726	2.7683	2.7683	1.0164	1.0164
H4	1.0922	2.0726	2.0726		1.7629	2.3851	2.9273	2.9273	2.3851
H5	1.0922	2.0726	2.0726	1.7629		2.9273	2.3851	2.3851	2.9273
H6	2.0496	1.0164	2.7683	2.3851	2.9273		1.6339	3.0930	2.6262
H7	2.0496	1.0164	2.7683	2.9273	2.3851	1.6339		2.6262	3.0930
H8	2.0496	2.7683	1.0164	2.9273	2.3851	3.0930	2.6262		1.6339
H9	2.0496	2.7683	1.0164	2.3851	2.9273	2.6262	3.0930	1.6339

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.096	C1	N2	H7	110.096
C1	N3	H8	110.096	C1	N3	H9	110.096
N2	C1	N3	119.067	N2	C1	H4	107.421
N2	C1	H5	107.421	N3	C1	H4	107.421
N3	C1	H5	107.421	H4	C1	H5	107.617
H6	N2	H7	106.989	H8	N3	H9	106.989

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: MP4/TZVP

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/TZVP

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)