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	hartrees
Energy at 0K	-169.372907
Energy at 298.15K	-169.377324
HF Energy	-168.847749
Nuclear repulsion energy	74.867642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3435	3289	4.29
2	A	3200	3064	30.34
3	A	3102	2970	30.65
4	A	1575	1508	2.25
5	A	1403	1343	26.20
6	A	1308	1252	36.66
7	A	1289	1234	7.19
8	A	1235	1183	1.98
9	A	1116	1069	10.70
10	A	995	953	17.49
11	A	934	894	32.13
12	A	776	743	4.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.694	-0.324	0.017
N2	-0.727	-0.453	-0.161
O3	-0.047	0.858	0.021
H4	1.143	-0.606	0.971
H5	1.297	-0.510	-0.871
H6	-1.137	-0.635	0.758

	C1	N2	O3	H4	H5	H6
C1		1.4372	1.3949	1.0917	1.0893	1.9995
N2	1.4372		1.4881	2.1909	2.1454	1.0231
O3	1.3949	1.4881		2.1125	2.1156	1.9897
H4	1.0917	2.1909	2.1125		1.8503	2.2901
H5	1.0893	2.1454	2.1156	1.8503		2.9316
H6	1.9995	1.0231	1.9897	2.2901	2.9316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.925	C1	N2	H6	107.525
C1	O3	N2	59.702	N2	C1	O3	63.373
N2	C1	H4	119.443	N2	C1	H5	115.552
O3	C1	H4	115.791	O3	C1	H5	116.241
O3	N2	H6	103.248	H4	C1	H5	116.067

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

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

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