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	hartrees
Energy at 0K	-150.480002
Energy at 298.15K	-150.487875
HF Energy	-150.480002
Nuclear repulsion energy	83.467875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3429	3389	0.02
2	A₁	2979	2944	29.60
3	A₁	1595	1576	62.71
4	A₁	1401	1385	1.91
5	A₁	1078	1066	33.44
6	A₁	786	777	20.85
7	A₁	446	441	0.85
8	A₂	3525	3484	0.00
9	A₂	1341	1325	0.00
10	A₂	1031	1019	0.00
11	A₂	249	246	0.00
12	B₁	3522	3481	5.05
13	B₁	3022	2987	17.23
14	B₁	1311	1296	0.11
15	B₁	816	806	0.01
16	B₁	403	398	89.06
17	B₂	3431	3391	0.92
18	B₂	1583	1565	9.22
19	B₂	1333	1318	14.75
20	B₂	1099	1086	109.66
21	B₂	666	658	482.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.538
N2	0.000	1.247	-0.183
N3	0.000	-1.247	-0.183
H4	0.879	0.000	1.203
H5	-0.879	0.000	1.203
H6	0.829	1.356	-0.769
H7	-0.829	1.356	-0.769
H8	-0.829	-1.356	-0.769
H9	0.829	-1.356	-0.769

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4399	1.4399	1.1023	1.1023	2.0574	2.0574	2.0574	2.0574
N2	1.4399		2.4938	2.0607	2.0607	1.0214	1.0214	2.7940	2.7940
N3	1.4399	2.4938		2.0607	2.0607	2.7940	2.7940	1.0214	1.0214
H4	1.1023	2.0607	2.0607		1.7583	2.3932	2.9400	2.9400	2.3932
H5	1.1023	2.0607	2.0607	1.7583		2.9400	2.3932	2.3932	2.9400
H6	2.0574	1.0214	2.7940	2.3932	2.9400		1.6586	3.1789	2.7119
H7	2.0574	1.0214	2.7940	2.9400	2.3932	1.6586		2.7119	3.1789
H8	2.0574	2.7940	1.0214	2.9400	2.3932	3.1789	2.7119		1.6586
H9	2.0574	2.7940	1.0214	2.3932	2.9400	2.7119	3.1789	1.6586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.300	C1	N2	H7	112.300
C1	N3	H8	112.300	C1	N3	H9	112.300
N2	C1	N3	119.982	N2	C1	H4	107.561
N2	C1	H5	107.561	N3	C1	H4	107.561
N3	C1	H5	107.561	H4	C1	H5	105.789
H6	N2	H7	108.574	H8	N3	H9	108.574

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: LSDA/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	-0.357
2	N	-0.430
3	N	-0.430
4	H	0.188
5	H	0.188
6	H	0.210
7	H	0.210
8	H	0.210
9	H	0.210

<r²>	53.784
(<r²>)^1/2	7.334

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: LSDA/TZVP

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)