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	hartrees
Energy at 0K	-151.091724
Energy at 298.15K	-151.099708
HF Energy	-151.091724
Nuclear repulsion energy	83.464741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3521	3383	1.02
2	A₁	3062	2942	38.32
3	A₁	1664	1599	42.44
4	A₁	1484	1426	0.32
5	A₁	1107	1064	35.18
6	A₁	857	824	2.70
7	A₁	458	440	2.95
8	A₂	3608	3467	0.00
9	A₂	1397	1343	0.00
10	A₂	1074	1032	0.00
11	A₂	252	242	0.00
12	B₁	3605	3465	0.70
13	B₁	3103	2982	24.84
14	B₁	1372	1318	0.32
15	B₁	848	815	0.08
16	B₁	389	374	81.45
17	B₂	3521	3384	1.16
18	B₂	1653	1589	5.40
19	B₂	1385	1331	17.79
20	B₂	1103	1060	79.62
21	B₂	782	751	410.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.548
N2	0.000	1.254	-0.183
N3	0.000	-1.254	-0.183
H4	0.876	0.000	1.201
H5	-0.876	0.000	1.201
H6	0.814	1.320	-0.782
H7	-0.814	1.320	-0.782
H8	-0.814	-1.320	-0.782
H9	0.814	-1.320	-0.782

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4518	1.4518	1.0925	1.0925	2.0429	2.0429	2.0429	2.0429
N2	1.4518		2.5087	2.0629	2.0629	1.0125	1.0125	2.7658	2.7658
N3	1.4518	2.5087		2.0629	2.0629	2.7658	2.7658	1.0125	1.0125
H4	1.0925	2.0629	2.0629		1.7520	2.3827	2.9204	2.9204	2.3827
H5	1.0925	2.0629	2.0629	1.7520		2.9204	2.3827	2.3827	2.9204
H6	2.0429	1.0125	2.7658	2.3827	2.9204		1.6277	3.1020	2.6406
H7	2.0429	1.0125	2.7658	2.9204	2.3827	1.6277		2.6406	3.1020
H8	2.0429	2.7658	1.0125	2.9204	2.3827	3.1020	2.6406		1.6277
H9	2.0429	2.7658	1.0125	2.3827	2.9204	2.6406	3.1020	1.6277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.732	C1	N2	H7	110.732
C1	N3	H8	110.732	C1	N3	H9	110.732
N2	C1	N3	119.541	N2	C1	H4	107.509
N2	C1	H5	107.509	N3	C1	H4	107.509
N3	C1	H5	107.509	H4	C1	H5	106.608
H6	N2	H7	106.988	H8	N3	H9	106.988

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: PBE1PBE/cc-pVTZ

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	-0.035
2	N	-0.311
3	N	-0.311
4	H	0.094
5	H	0.094
6	H	0.117
7	H	0.117
8	H	0.117
9	H	0.117

<r²>	53.437
(<r²>)^1/2	7.310

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)