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	hartrees
Energy at 0K	-150.985629
Energy at 298.15K	-150.993596
HF Energy	-150.308610
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.063180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3481	3376
2	A₁	3061	2969
3	A₁	1664	1614
4	A₁	1501	1456
5	A₁	1100	1067
6	A₁	856	831
7	A₁	453	439
8	A₂	3568	3460
9	A₂	1401	1359
10	A₂	1073	1041
11	A₂	252	245
12	B₁	3566	3458
13	B₁	3107	3014
14	B₁	1374	1333
15	B₁	848	822
16	B₁	370	358
17	B₂	3481	3377
18	B₂	1654	1604
19	B₂	1388	1347
20	B₂	1088	1055
21	B₂	806	782

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.557
N2	0.000	1.261	-0.185
N3	0.000	-1.261	-0.185
H4	0.880	0.000	1.204
H5	-0.880	0.000	1.204
H6	0.815	1.314	-0.789
H7	-0.815	1.314	-0.789
H8	-0.815	-1.314	-0.789
H9	0.815	-1.314	-0.789

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4636	1.4636	1.0919	1.0919	2.0502	2.0502	2.0502	2.0502
N2	1.4636		2.5221	2.0722	2.0722	1.0154	1.0154	2.7675	2.7675
N3	1.4636	2.5221		2.0722	2.0722	2.7675	2.7675	1.0154	1.0154
H4	1.0919	2.0722	2.0722		1.7604	2.3877	2.9274	2.9274	2.3877
H5	1.0919	2.0722	2.0722	1.7604		2.9274	2.3877	2.3877	2.9274
H6	2.0502	1.0154	2.7675	2.3877	2.9274		1.6296	3.0922	2.6280
H7	2.0502	1.0154	2.7675	2.9274	2.3877	1.6296		2.6280	3.0922
H8	2.0502	2.7675	1.0154	2.9274	2.3877	3.0922	2.6280		1.6296
H9	2.0502	2.7675	1.0154	2.3877	2.9274	2.6280	3.0922	1.6296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.283	C1	N2	H7	110.283
C1	N3	H8	110.283	C1	N3	H9	110.283
N2	C1	N3	118.998	N2	C1	H4	107.477
N2	C1	H5	107.477	N3	C1	H4	107.477
N3	C1	H5	107.477	H4	C1	H5	107.445
H6	N2	H7	106.725	H8	N3	H9	106.725

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: CCSD(T)/aug-cc-pVTZ

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: CCSD(T)/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)