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	hartrees
Energy at 0K	-150.829126
Energy at 298.15K	-150.837103
HF Energy	-150.271821
Counterpoise corrected energy	-150.829126
CP Energy at 298.15K	-150.837103
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	82.638856

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3485	3376	1.88
2	A₁	3071	2974	33.51
3	A₁	1662	1610	39.17
4	A₁	1488	1441	0.07
5	A₁	1104	1069	32.90
6	A₁	864	837	1.17
7	A₁	452	437	2.98
8	A₂	3575	3463	0.00
9	A₂	1397	1353	0.00
10	A₂	1073	1039	0.00
11	A₂	251	243	0.00
12	B₁	3573	3462	0.55
13	B₁	3118	3020	26.15
14	B₁	1372	1329	0.54
15	B₁	851	825	1.03
16	B₁	375	363	82.35
17	B₂	3485	3376	3.23
18	B₂	1655	1603	6.19
19	B₂	1388	1345	22.52
20	B₂	1105	1071	79.32
21	B₂	809	784	339.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.559
N2	0.000	1.267	-0.186
N3	0.000	-1.267	-0.186
H4	0.888	0.000	1.212
H5	-0.888	0.000	1.212
H6	0.819	1.321	-0.794
H7	-0.819	1.321	-0.794
H8	-0.819	-1.321	-0.794
H9	0.819	-1.321	-0.794

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4691	1.4691	1.1027	1.1027	2.0604	2.0604	2.0604	2.0604
N2	1.4691		2.5333	2.0849	2.0849	1.0216	1.0216	2.7815	2.7815
N3	1.4691	2.5333		2.0849	2.0849	2.7815	2.7815	1.0216	1.0216
H4	1.1027	2.0849	2.0849		1.7765	2.4031	2.9468	2.9468	2.4031
H5	1.1027	2.0849	2.0849	1.7765		2.9468	2.4031	2.4031	2.9468
H6	2.0604	1.0216	2.7815	2.4031	2.9468		1.6373	3.1083	2.6421
H7	2.0604	1.0216	2.7815	2.9468	2.4031	1.6373		2.6421	3.1083
H8	2.0604	2.7815	1.0216	2.9468	2.4031	3.1083	2.6421		1.6373
H9	2.0604	2.7815	1.0216	2.4031	2.9468	2.6421	3.1083	1.6373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.345	C1	N2	H7	110.345
C1	N3	H8	110.345	C1	N3	H9	110.345
N2	C1	N3	119.135	N2	C1	H4	107.467
N2	C1	H5	107.467	N3	C1	H4	107.467
N3	C1	H5	107.467	H4	C1	H5	107.318
H6	N2	H7	106.527	H8	N3	H9	106.527

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

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

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)