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	hartrees
Energy at 0K	-168.202106
Energy at 298.15K	-168.206382
HF Energy	-167.845169
Nuclear repulsion energy	71.019955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3224	3125	31.49
2	A	3195	3097	1.15
3	A	3115	3020	11.65
4	A	1593	1544	1.38
5	A	1363	1321	24.67
6	A	1211	1174	22.48
7	A	1183	1147	3.14
8	A	1089	1056	4.29
9	A	1050	1017	13.33
10	A	957	927	18.45
11	A	739	716	7.67
12	A	693	672	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.691	-0.415	0.019
N2	-0.808	-0.429	-0.158
O3	0.045	0.927	0.013
H4	1.120	-0.728	0.970
H5	1.249	-0.681	-0.874
H6	-1.222	-0.516	0.796

	C1	N2	O3	H4	H5	H6
C1		1.5094	1.4897	1.0892	1.0857	2.0671
N2	1.5094		1.6108	2.2532	2.1920	1.0433
O3	1.4897	1.6108		2.1936	2.1959	2.0735
H4	1.0892	2.2532	2.1936		1.8491	2.3575
H5	1.0857	2.1920	2.1959	1.8491		2.9863
H6	2.0671	1.0433	2.0735	2.3575	2.9863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.928	C1	N2	H6	106.725
C1	O3	N2	58.105	N2	C1	O3	64.966
N2	C1	H4	119.365	N2	C1	H5	114.287
O3	C1	H4	115.675	O3	C1	H5	116.119
O3	N2	H6	100.568	H4	C1	H5	116.468

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

using model chemistry: QCISD/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 CNOH3 (1,2-oxaziridine)

using model chemistry: QCISD/3-21G

States and conformations

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