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	hartrees
Energy at 0K	-169.425782
Energy at 298.15K	-169.430204
HF Energy	-168.828703
Nuclear repulsion energy	74.978296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3467	3285	0.42
2	A	3231	3061	21.77
3	A	3136	2971	24.42
4	A	1571	1489	2.62
5	A	1392	1319	27.59
6	A	1306	1237	32.68
7	A	1285	1217	10.07
8	A	1245	1180	1.76
9	A	1117	1058	9.99
10	A	992	940	16.76
11	A	941	891	26.52
12	A	783	742	4.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.692	-0.321	0.016
N2	-0.726	-0.454	-0.161
O3	-0.048	0.857	0.021
H4	1.141	-0.609	0.965
H5	1.295	-0.510	-0.868
H6	-1.123	-0.633	0.764

	C1	N2	O3	H4	H5	H6
C1		1.4359	1.3917	1.0883	1.0866	1.9881
N2	1.4359		1.4877	2.1865	2.1420	1.0227
O3	1.3917	1.4877		2.1107	2.1130	1.9818
H4	1.0883	2.1865	2.1107		1.8417	2.2736
H5	1.0866	2.1420	2.1130	1.8417		2.9199
H6	1.9881	1.0227	1.9818	2.2736	2.9199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.818	C1	N2	H6	106.714
C1	O3	N2	59.717	N2	C1	O3	63.465
N2	C1	H4	119.405	N2	C1	H5	115.548
O3	C1	H4	116.129	O3	C1	H5	116.458
O3	N2	H6	102.692	H4	C1	H5	115.734

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

using model chemistry: QCISD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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