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	hartrees
Energy at 0K	-169.564130
Energy at 298.15K	-169.568582
HF Energy	-168.881233
Nuclear repulsion energy	75.558933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3512	3512	1.80
2	A	3243	3243	14.38
3	A	3166	3166	23.93
4	A	1587	1587	1.19
5	A	1393	1393	24.99
6	A	1324	1324	34.90
7	A	1297	1297	12.93
8	A	1261	1261	1.10
9	A	1129	1129	8.27
10	A	1006	1006	17.87
11	A	957	957	34.35
12	A	821	821	4.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.698	-0.306	0.016
N2	-0.710	-0.463	-0.161
O3	-0.069	0.848	0.022
H4	1.145	-0.578	0.961
H5	1.299	-0.473	-0.863
H6	-1.108	-0.657	0.752

	C1	N2	O3	H4	H5	H6
C1		1.4270	1.3850	1.0799	1.0782	1.9812
N2	1.4270		1.4697	2.1702	2.1275	1.0146
O3	1.3850	1.4697		2.0945	2.0975	1.9685
H4	1.0799	2.1702	2.0945		1.8334	2.2639
H5	1.0782	2.1275	2.0975	1.8334		2.9041
H6	1.9812	1.0146	1.9685	2.2639	2.9041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.104	C1	N2	H6	107.266
C1	O3	N2	59.898	N2	C1	O3	62.998
N2	C1	H4	119.275	N2	C1	H5	115.554
O3	C1	H4	115.808	O3	C1	H5	116.205
O3	N2	H6	103.287	H4	C1	H5	116.329

All results from a given calculation for CNOH₃ (1,2-oxaziridine)

using model chemistry: MP3=FULL/aug-cc-pVTZ

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 CNOH3 (1,2-oxaziridine)

using model chemistry: MP3=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CNOH₃ (1,2-oxaziridine)