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	hartrees
Energy at 0K	-150.868216
Energy at 298.15K	-150.876283
HF Energy	-150.262831
Counterpoise corrected energy	-150.868216
CP Energy at 298.15K	-150.876283
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.241441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3538	3352	0.16
2	A₁	3107	2944	34.67
3	A₁	1702	1613	40.26
4	A₁	1528	1448	0.02
5	A₁	1146	1086	31.01
6	A₁	901	854	0.02
7	A₁	463	438	5.78
8	A₂	3624	3433	0.00
9	A₂	1427	1352	0.00
10	A₂	1093	1035	0.00
11	A₂	273	258	0.00
12	B₁	3623	3432	0.24
13	B₁	3155	2989	22.73
14	B₁	1403	1329	0.35
15	B₁	866	821	0.74
16	B₁	396	375	91.06
17	B₂	3538	3352	0.08
18	B₂	1693	1604	2.42
19	B₂	1418	1343	21.88
20	B₂	1123	1064	54.05
21	B₂	858	813	383.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.558
N2	0.000	1.259	-0.184
N3	0.000	-1.259	-0.184
H4	0.879	0.000	1.206
H5	-0.879	0.000	1.206
H6	0.810	1.293	-0.795
H7	-0.810	1.293	-0.795
H8	-0.810	-1.293	-0.795
H9	0.810	-1.293	-0.795

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4611	1.4611	1.0928	1.0928	2.0385	2.0385	2.0385	2.0385
N2	1.4611		2.5172	2.0717	2.0717	1.0146	1.0146	2.7453	2.7453
N3	1.4611	2.5172		2.0717	2.0717	2.7453	2.7453	1.0146	1.0146
H4	1.0928	2.0717	2.0717		1.7588	2.3832	2.9204	2.9204	2.3832
H5	1.0928	2.0717	2.0717	1.7588		2.9204	2.3832	2.3832	2.9204
H6	2.0385	1.0146	2.7453	2.3832	2.9204		1.6197	3.0506	2.5851
H7	2.0385	1.0146	2.7453	2.9204	2.3832	1.6197		2.5851	3.0506
H8	2.0385	2.7453	1.0146	2.9204	2.3832	3.0506	2.5851		1.6197
H9	2.0385	2.7453	1.0146	2.3832	2.9204	2.5851	3.0506	1.6197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.532	C1	N2	H7	109.532
C1	N3	H8	109.532	C1	N3	H9	109.532
N2	C1	N3	118.945	N2	C1	H4	107.549
N2	C1	H5	107.549	N3	C1	H4	107.549
N3	C1	H5	107.549	H4	C1	H5	107.175
H6	N2	H7	105.917	H8	N3	H9	105.917

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: QCISD/6-31G(2df,p)

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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All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)