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	hartrees
Energy at 0K	-132.040912
Energy at 298.15K	-132.043952
HF Energy	-131.750772
Nuclear repulsion energy	62.592428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3329	3122	0.86
2	A'	3211	3011	8.34
3	A'	1712	1605	8.43
4	A'	1577	1479	0.29
5	A'	1301	1221	14.14
6	A'	1109	1040	12.60
7	A'	1033	969	45.19
8	A'	638	598	6.62
9	A"	3310	3104	21.46
10	A"	1152	1080	1.27
11	A"	997	935	0.01
12	A"	813	763	26.14

Atom	x (Å)	y (Å)	z (Å)
N1	-0.889	-0.157	0.000
C2	0.000	0.757	0.000
C3	0.676	-0.553	0.000
H4	0.062	1.833	0.000
H5	1.052	-0.979	0.922
H6	1.052	-0.979	-0.922

	N1	C2	C3	H4	H5	H6
N1		1.2753	1.6140	2.2061	2.3006	2.3006
C2	1.2753		1.4741	1.0777	2.2299	2.2299
C3	1.6140	1.4741		2.4635	1.0830	1.0830
H4	2.2061	1.0777	2.4635		3.1208	3.1208
H5	2.3006	2.2299	1.0830	3.1208		1.8433
H6	2.3006	2.2299	1.0830	3.1208	1.8433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	71.475	N1	C2	H4	139.141
N1	C3	C2	48.525	N1	C3	H5	115.677
N1	C3	H6	115.677	C2	N1	C3	60.000
C2	C3	N1	48.525	C2	C3	H5	120.618
C2	C3	H6	120.618	C3	C2	H4	149.385
H5	C3	H6	116.640

All results from a given calculation for CHNCH₂ (2H-Azirine)

using model chemistry: CISD/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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All results from a given calculation for CHNCH2 (2H-Azirine)

using model chemistry: CISD/6-31G

States and conformations

All results from a given calculation for CHNCH₂ (2H-Azirine)