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	hartrees
Energy at 0K	-150.854108
Energy at 298.15K	-150.862060
HF Energy	-150.271416
Nuclear repulsion energy	82.516200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3455	3356
2	A₁	3055	2967
3	A₁	1649	1602
4	A₁	1476	1433
5	A₁	1095	1064
6	A₁	853	829
7	A₁	446	433
8	A₂	3548	3446
9	A₂	1387	1347
10	A₂	1064	1034
11	A₂	248	241
12	B₁	3547	3444
13	B₁	3103	3014
14	B₁	1361	1322
15	B₁	844	820
16	B₁	372	361
17	B₂	3456	3356
18	B₂	1641	1594
19	B₂	1376	1336
20	B₂	1089	1057
21	B₂	802	779

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.559
N2	0.000	1.270	-0.185
N3	0.000	-1.270	-0.185
H4	0.889	0.000	1.212
H5	-0.889	0.000	1.212
H6	0.819	1.320	-0.796
H7	-0.819	1.320	-0.796
H8	-0.819	-1.320	-0.796
H9	0.819	-1.320	-0.796

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4717	1.4717	1.1035	1.1035	2.0613	2.0613	2.0613	2.0613
N2	1.4717		2.5394	2.0872	2.0872	1.0232	1.0232	2.7838	2.7838
N3	1.4717	2.5394		2.0872	2.0872	2.7838	2.7838	1.0232	1.0232
H4	1.1035	2.0872	2.0872		1.7784	2.4045	2.9487	2.9487	2.4045
H5	1.1035	2.0872	2.0872	1.7784		2.9487	2.4045	2.4045	2.9487
H6	2.0613	1.0232	2.7838	2.4045	2.9487		1.6384	3.1065	2.6393
H7	2.0613	1.0232	2.7838	2.9487	2.4045	1.6384		2.6393	3.1065
H8	2.0613	2.7838	1.0232	2.9487	2.4045	3.1065	2.6393		1.6384
H9	2.0613	2.7838	1.0232	2.4045	2.9487	2.6393	3.1065	1.6384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.126	C1	N2	H7	110.126
C1	N3	H8	110.126	C1	N3	H9	110.126
N2	C1	N3	119.257	N2	C1	H4	107.424
N2	C1	H5	107.424	N3	C1	H4	107.424
N3	C1	H5	107.424	H4	C1	H5	107.368
H6	N2	H7	106.374	H8	N3	H9	106.374

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: CCSD(T)=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: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)