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	hartrees
Energy at 0K	-148.372084
Energy at 298.15K	-148.374477
HF Energy	-147.901317
Nuclear repulsion energy	59.712297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3671	3456	18.12
2	A	1274	1200	0.01
3	A	973	916	6.67
4	A	802	755	101.25
5	A	509	479	0.05
6	B	3672	3457	80.10
7	B	2228	2097	514.65
8	B	968	911	474.08
9	B	506	476	71.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.021
N2	0.000	1.230	-0.083
N3	0.000	-1.230	-0.083
H4	0.638	1.739	0.516
H5	-0.638	-1.739	0.516

	C1	N2	N3	H4	H5
C1		1.2346	1.2346	1.9175	1.9175
N2	1.2346		2.4605	1.0119	3.0956
N3	1.2346	2.4605		3.0956	1.0119
H4	1.9175	1.0119	3.0956		3.7049
H5	1.9175	3.0956	1.0119	3.7049

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	116.862		C1	N3	H5	116.862
N2	C1	N3	170.421

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD/6-31G**

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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