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	hartrees
Energy at 0K	-150.314168
Energy at 298.15K	-150.322046
HF Energy	-150.314168
Nuclear repulsion energy	82.196536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3425	3292	5.56
2	A₁	3080	2960	40.04
3	A₁	1726	1659	34.66
4	A₁	1522	1463	3.43
5	A₁	1066	1025	54.74
6	A₁	716	688	23.78
7	A₁	441	424	2.01
8	A₂	3530	3393	0.00
9	A₂	1424	1369	0.00
10	A₂	1086	1043	0.00
11	A₂	282	271	0.00
12	B₁	3531	3394	1.54
13	B₁	3129	3007	26.13
14	B₁	1368	1315	0.23
15	B₁	831	799	0.35
16	B₁	437	420	116.00
17	B₂	3425	3292	1.12
18	B₂	1712	1646	2.72
19	B₂	1406	1351	3.29
20	B₂	1050	1009	41.96
21	B₂	572	549	599.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.548
N2	0.000	1.276	-0.189
N3	0.000	-1.276	-0.189
H4	0.882	0.000	1.196
H5	-0.882	0.000	1.196
H6	0.839	1.403	-0.761
H7	-0.839	1.403	-0.761
H8	-0.839	-1.403	-0.761
H9	0.839	-1.403	-0.761

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4735	1.4735	1.0946	1.0946	2.0943	2.0943	2.0943	2.0943
N2	1.4735		2.5520	2.0794	2.0794	1.0233	1.0233	2.8649	2.8649
N3	1.4735	2.5520		2.0794	2.0794	2.8649	2.8649	1.0233	1.0233
H4	1.0946	2.0794	2.0794		1.7647	2.4084	2.9598	2.9598	2.4084
H5	1.0946	2.0794	2.0794	1.7647		2.9598	2.4084	2.4084	2.9598
H6	2.0943	1.0233	2.8649	2.4084	2.9598		1.6773	3.2691	2.8060
H7	2.0943	1.0233	2.8649	2.9598	2.4084	1.6773		2.8060	3.2691
H8	2.0943	2.8649	1.0233	2.9598	2.4084	3.2691	2.8060		1.6773
H9	2.0943	2.8649	1.0233	2.4084	2.9598	2.8060	3.2691	1.6773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.783	C1	N2	H7	112.783
C1	N3	H8	112.783	C1	N3	H9	112.783
N2	C1	N3	119.982	N2	C1	H4	107.215
N2	C1	H5	107.215	N3	C1	H4	107.215
N3	C1	H5	107.215	H4	C1	H5	107.438
H6	N2	H7	110.085	H8	N3	H9	110.085

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: B3PW91/3-21G

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	-0.163
2	N	-0.693
3	N	-0.693
4	H	0.235
5	H	0.235
6	H	0.270
7	H	0.270
8	H	0.270
9	H	0.270

<r²>	54.783
(<r²>)^1/2	7.402

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)