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	hartrees
Energy at 0K	-132.355610
Energy at 298.15K	-132.358682
HF Energy	-131.878732
Nuclear repulsion energy	63.727931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3278	3132	1.02
2	A'	3150	3009	19.55
3	A'	1731	1654	10.15
4	A'	1549	1480	0.04
5	A'	1333	1274	9.08
6	A'	1084	1036	0.33
7	A'	1030	984	50.10
8	A'	693	662	11.56
9	A"	3242	3097	20.26
10	A"	1139	1088	2.19
11	A"	1000	955	0.14
12	A"	811	775	17.13

Atom	x (Å)	y (Å)	z (Å)
N1	-0.866	-0.166	0.000
C2	0.000	0.744	0.000
C3	0.657	-0.534	0.000
H4	0.042	1.822	0.000
H5	1.038	-0.959	0.921
H6	1.038	-0.959	-0.921

	N1	C2	C3	H4	H5	H6
N1		1.2565	1.5673	2.1858	2.2589	2.2589
C2	1.2565		1.4373	1.0786	2.1967	2.1967
C3	1.5673	1.4373		2.4350	1.0831	1.0831
H4	2.1858	1.0786	2.4350		3.0939	3.0939
H5	2.2589	2.1967	1.0831	3.0939		1.8414
H6	2.2589	2.1967	1.0831	3.0939	1.8414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.791	N1	C2	H4	138.665
N1	C3	C2	49.209	N1	C3	H5	115.713
N1	C3	H6	115.713	C2	N1	C3	60.000
C2	C3	N1	49.209	C2	C3	H5	120.634
C2	C3	H6	120.634	C3	C2	H4	150.544
H5	C3	H6	116.431

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

using model chemistry: QCISD/TZVP

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: QCISD/TZVP

States and conformations

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