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	hartrees
Energy at 0K	-149.097271
Energy at 298.15K	-149.105182
HF Energy	-149.097271
Nuclear repulsion energy	81.211119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3547	3129	29.95
2	A₁	3382	2983	3.33
3	A₁	1883	1661	7.35
4	A₁	1638	1445	0.21
5	A₁	1245	1098	5.71
6	A₁	936	826	3.63
7	A₁	444	392	15.26
8	A₂	3736	3295	0.00
9	A₂	1514	1336	0.00
10	A₂	1186	1046	0.00
11	A₂	301	266	0.00
12	B₁	3735	3295	24.46
13	B₁	3496	3084	0.04
14	B₁	1517	1338	2.88
15	B₁	900	794	0.33
16	B₁	394	348	113.99
17	B₂	3547	3128	1.65
18	B₂	1879	1658	0.56
19	B₂	1476	1302	18.58
20	B₂	1188	1048	0.00
21	B₂	945	833	238.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.584
N2	0.000	1.294	-0.185
N3	0.000	-1.294	-0.185
H4	0.896	0.000	1.230
H5	-0.896	0.000	1.230
H6	0.824	1.229	-0.844
H7	-0.824	1.229	-0.844
H8	-0.824	-1.229	-0.844
H9	0.824	-1.229	-0.844

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.5057	1.5057	1.1049	1.1049	2.0567	2.0567	2.0567	2.0567
N2	1.5057		2.5887	2.1170	2.1170	1.0571	1.0571	2.7355	2.7355
N3	1.5057	2.5887		2.1170	2.1170	2.7355	2.7355	1.0571	1.0571
H4	1.1049	2.1170	2.1170		1.7926	2.4122	2.9620	2.9620	2.4122
H5	1.1049	2.1170	2.1170	1.7926		2.9620	2.4122	2.4122	2.9620
H6	2.0567	1.0571	2.7355	2.4122	2.9620		1.6482	2.9602	2.4589
H7	2.0567	1.0571	2.7355	2.9620	2.4122	1.6482		2.4589	2.9602
H8	2.0567	2.7355	1.0571	2.9620	2.4122	2.9602	2.4589		1.6482
H9	2.0567	2.7355	1.0571	2.4122	2.9620	2.4589	2.9602	1.6482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	105.406	C1	N2	H7	105.406
C1	N3	H8	105.406	C1	N3	H9	105.406
N2	C1	N3	118.554	N2	C1	H4	107.381
N2	C1	H5	107.381	N3	C1	H4	107.381
N3	C1	H5	107.381	H4	C1	H5	108.436
H6	N2	H7	102.441	H8	N3	H9	102.441

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: PBE1PBE/STO-3G

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	-0.026
2	N	-0.373
3	N	-0.373
4	H	0.090
5	H	0.090
6	H	0.148
7	H	0.148
8	H	0.148
9	H	0.148

<r²>	54.280
(<r²>)^1/2	7.367

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)