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	hartrees
Energy at 0K	-132.321009
Energy at 298.15K	-132.324010
HF Energy	-131.845153
Nuclear repulsion energy	62.838095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3228	3159
2	A'	3119	3053
3	A'	1675	1640
4	A'	1495	1463
5	A'	1305	1277
6	A'	1027	1005
7	A'	983	963
8	A'	658	644
9	A"	3217	3148
10	A"	1095	1071
11	A"	966	946
12	A"	757	740

Atom	x (Å)	y (Å)	z (Å)
N1	-0.877	-0.173	0.000
C2	0.000	0.756	0.000
C3	0.666	-0.539	0.000
H4	0.041	1.851	0.000
H5	1.053	-0.970	0.934
H6	1.053	-0.970	-0.934

	N1	C2	C3	H4	H5	H6
N1		1.2773	1.5857	2.2219	2.2875	2.2875
C2	1.2773		1.4562	1.0957	2.2268	2.2268
C3	1.5857	1.4562		2.4705	1.0988	1.0988
H4	2.2219	1.0957	2.4705		3.1389	3.1389
H5	2.2875	2.2268	1.0988	3.1389		1.8678
H6	2.2875	2.2268	1.0988	3.1389	1.8678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.567	N1	C2	H4	138.753
N1	C3	C2	49.433	N1	C3	H5	115.690
N1	C3	H6	115.690	C2	N1	C3	60.000
C2	C3	N1	49.433	C2	C3	H5	120.633
C2	C3	H6	120.633	C3	C2	H4	150.680
H5	C3	H6	116.398

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

using model chemistry: CCSD(T)/cc-pVDZ

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: CCSD(T)/cc-pVDZ

States and conformations

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