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	hartrees
Energy at 0K	-132.290612
Energy at 298.15K	-132.293405
HF Energy	-131.821027
Nuclear repulsion energy	63.351931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3432	3210	7.43
2	A'	3430	3208	13.04
3	A'	1812	1694	8.96
4	A'	1379	1290	11.69
5	A'	1115	1042	3.66
6	A'	920	861	24.12
7	A'	572	535	92.38
8	A"	3372	3153	14.69
9	A"	1178	1102	42.47
10	A"	1012	947	14.39
11	A"	752	703	6.74
12	A"	601	562	4.67

Atom	x (Å)	y (Å)	z (Å)
N1	-0.033	0.897	0.000
C2	-0.033	-0.476	0.637
C3	-0.033	-0.476	-0.637
H4	0.932	1.229	0.000
H5	-0.149	-0.900	1.611
H6	-0.149	-0.900	-1.611

	N1	C2	C3	H4	H5	H6
N1		1.5135	1.5135	1.0202	2.4168	2.4168
C2	1.5135		1.2735	2.0594	1.0693	2.2907
C3	1.5135	1.2735		2.0594	2.2907	1.0693
H4	1.0202	2.0594	2.0594		2.8801	2.8801
H5	2.4168	1.0693	2.2907	2.8801		3.2226
H6	2.4168	2.2907	1.0693	2.8801	3.2226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	65.121	N1	C2	H5	138.041
N1	C3	C2	65.121	N1	C3	H6	138.041
C2	N1	C3	49.759	C2	N1	H4	107.132
C2	C3	H6	155.707	C3	N1	H4	107.132
C3	C2	H5	155.707

All results from a given calculation for CHNHCH (1H-Azirine)

using model chemistry: MP3/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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