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	hartrees
Energy at 0K	-151.230784
Energy at 298.15K	-151.238774
HF Energy	-151.230784
Nuclear repulsion energy	83.397498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3537	3375	0.11
2	A₁	3079	2937	37.26
3	A₁	1678	1601	56.96
4	A₁	1486	1418	0.92
5	A₁	1098	1047	43.08
6	A₁	844	805	9.87
7	A₁	460	439	2.51
8	A₂	3628	3461	0.00
9	A₂	1408	1343	0.00
10	A₂	1079	1029	0.00
11	A₂	260	248	0.00
12	B₁	3626	3460	1.08
13	B₁	3122	2979	25.98
14	B₁	1374	1311	0.04
15	B₁	852	813	0.22
16	B₁	397	379	92.90
17	B₂	3538	3375	0.68
18	B₂	1667	1591	6.86
19	B₂	1403	1339	21.22
20	B₂	1096	1045	95.35
21	B₂	755	721	443.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.546
N2	0.000	1.255	-0.184
N3	0.000	-1.255	-0.184
H4	0.875	0.000	1.198
H5	-0.875	0.000	1.198
H6	0.818	1.343	-0.773
H7	-0.818	1.343	-0.773
H8	-0.818	-1.343	-0.773
H9	0.818	-1.343	-0.773

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4519	1.4519	1.0913	1.0913	2.0519	2.0519	2.0519	2.0519
N2	1.4519		2.5103	2.0620	2.0620	1.0114	1.0114	2.7863	2.7863
N3	1.4519	2.5103		2.0620	2.0620	2.7863	2.7863	1.0114	1.0114
H4	1.0913	2.0620	2.0620		1.7492	2.3860	2.9246	2.9246	2.3860
H5	1.0913	2.0620	2.0620	1.7492		2.9246	2.3860	2.3860	2.9246
H6	2.0519	1.0114	2.7863	2.3860	2.9246		1.6351	3.1438	2.6851
H7	2.0519	1.0114	2.7863	2.9246	2.3860	1.6351		2.6851	3.1438
H8	2.0519	2.7863	1.0114	2.9246	2.3860	3.1438	2.6851		1.6351
H9	2.0519	2.7863	1.0114	2.3860	2.9246	2.6851	3.1438	1.6351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.560	C1	N2	H7	111.560
C1	N3	H8	111.560	C1	N3	H9	111.560
N2	C1	N3	119.642	N2	C1	H4	107.499
N2	C1	H5	107.499	N3	C1	H4	107.499
N3	C1	H5	107.499	H4	C1	H5	106.527
H6	N2	H7	107.866	H8	N3	H9	107.866

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: mPW1PW91/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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Number	Element	Mulliken
1	C	-0.193
2	N	-0.416
3	N	-0.416
4	H	0.137
5	H	0.137
6	H	0.188
7	H	0.188
8	H	0.188
9	H	0.188

<r²>	53.742
(<r²>)^1/2	7.331

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: mPW1PW91/TZVP

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)