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	hartrees
Energy at 0K	-131.351249
Energy at 298.15K	-131.354286
HF Energy	-131.065592
Nuclear repulsion energy	62.461274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3086	1.04
2	A'	3226	3001	5.32
3	A'	1672	1556	5.07
4	A'	1571	1462	0.56
5	A'	1251	1164	17.94
6	A'	1082	1007	17.54
7	A'	998	928	42.24
8	A'	653	608	3.14
9	A"	3329	3098	13.84
10	A"	1145	1065	1.81
11	A"	998	929	0.09
12	A"	828	770	27.57

Atom	x (Å)	y (Å)	z (Å)
N1	-0.895	-0.146	0.000
C2	0.000	0.756	0.000
C3	0.682	-0.562	0.000
H4	0.078	1.826	0.000
H5	1.046	-0.983	0.925
H6	1.046	-0.983	-0.925

	N1	C2	C3	H4	H5	H6
N1		1.2701	1.6314	2.1988	2.3070	2.3070
C2	1.2701		1.4841	1.0734	2.2300	2.2300
C3	1.6314	1.4841		2.4638	1.0790	1.0790
H4	2.1988	1.0734	2.4638		3.1122	3.1122
H5	2.3070	2.2300	1.0790	3.1122		1.8491
H6	2.3070	2.2300	1.0790	3.1122	1.8491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	72.169	N1	C2	H4	139.365
N1	C3	C2	47.831	N1	C3	H5	115.158
N1	C3	H6	115.158	C2	N1	C3	60.000
C2	C3	N1	47.831	C2	C3	H5	120.100
C2	C3	H6	120.100	C3	C2	H4	148.465
H5	C3	H6	117.937

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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