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	hartrees
Energy at 0K	-169.391783
Energy at 298.15K	-169.396169
HF Energy	-168.846236
Nuclear repulsion energy	74.476009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3396	3269
2	A	3176	3058
3	A	3076	2962
4	A	1562	1504
5	A	1389	1337
6	A	1280	1233
7	A	1267	1220
8	A	1221	1176
9	A	1104	1062
10	A	985	948
11	A	914	880
12	A	731	703

Atom	x (Å)	y (Å)	z (Å)
C1	0.683	-0.348	0.017
N2	-0.747	-0.434	-0.161
O3	-0.014	0.866	0.020
H4	1.124	-0.645	0.973
H5	1.277	-0.560	-0.873
H6	-1.157	-0.594	0.766

	C1	N2	O3	H4	H5	H6
C1		1.4434	1.3998	1.0937	1.0911	2.0015
N2	1.4434		1.5041	2.1975	2.1495	1.0259
O3	1.3998	1.5041		2.1175	2.1205	1.9989
H4	1.0937	2.1975	2.1175		1.8545	2.2905
H5	1.0911	2.1495	2.1205	1.8545		2.9348
H6	2.0015	1.0259	1.9989	2.2905	2.9348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.661	C1	N2	H6	107.090
C1	O3	N2	59.481	N2	C1	O3	63.859
N2	C1	H4	119.389	N2	C1	H5	115.310
O3	C1	H4	115.707	O3	C1	H5	116.165
O3	N2	H6	102.743	H4	C1	H5	116.169

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

using model chemistry: QCISD(T)/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(T)/6-311G*

States and conformations

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