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	hartrees
Energy at 0K	-151.244518
Energy at 298.15K	-151.252545
HF Energy	-151.244518
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	82.948386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3475	3358	7.65
2	A₁	3057	2954	46.73
3	A₁	1720	1662	59.72
4	A₁	1498	1447	0.67
5	A₁	1106	1069	38.82
6	A₁	869	839	1.34
7	A₁	458	442	4.66
8	A₂	3555	3435	0.00
9	A₂	1415	1367	0.00
10	A₂	1089	1052	0.00
11	A₂	268	259	0.00
12	B₁	3554	3434	3.68
13	B₁	3095	2991	35.31
14	B₁	1388	1341	0.81
15	B₁	855	827	0.54
16	B₁	415	401	100.36
17	B₂	3475	3358	0.26
18	B₂	1708	1651	1.76
19	B₂	1403	1356	20.47
20	B₂	1064	1028	69.38
21	B₂	800	773	492.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.550
N2	0.000	1.266	-0.184
N3	0.000	-1.266	-0.184
H4	0.877	0.000	1.202
H5	-0.877	0.000	1.202
H6	0.817	1.332	-0.784
H7	-0.817	1.332	-0.784
H8	-0.817	-1.332	-0.784
H9	0.817	-1.332	-0.784

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4634	1.4634	1.0929	1.0929	2.0547	2.0547	2.0547	2.0547
N2	1.4634		2.5320	2.0720	2.0720	1.0160	1.0160	2.7886	2.7886
N3	1.4634	2.5320		2.0720	2.0720	2.7886	2.7886	1.0160	1.0160
H4	1.0929	2.0720	2.0720		1.7542	2.3924	2.9308	2.9308	2.3924
H5	1.0929	2.0720	2.0720	1.7542		2.9308	2.3924	2.3924	2.9308
H6	2.0547	1.0160	2.7886	2.3924	2.9308		1.6338	3.1247	2.6636
H7	2.0547	1.0160	2.7886	2.9308	2.3924	1.6338		2.6636	3.1247
H8	2.0547	2.7886	1.0160	2.9308	2.3924	3.1247	2.6636		1.6338
H9	2.0547	2.7886	1.0160	2.3924	2.9308	2.6636	3.1247	1.6338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.637	C1	N2	H7	110.637
C1	N3	H8	110.637	C1	N3	H9	110.637
N2	C1	N3	119.795	N2	C1	H4	107.412
N2	C1	H5	107.412	N3	C1	H4	107.412
N3	C1	H5	107.412	H4	C1	H5	106.742
H6	N2	H7	107.036	H8	N3	H9	107.036

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: B3LYP/6-311G*

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	-0.183
2	N	-0.710
3	N	-0.710
4	H	0.217
5	H	0.217
6	H	0.292
7	H	0.292
8	H	0.292
9	H	0.292

<r²>	54.212
(<r²>)^1/2	7.363

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)