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	hartrees
Energy at 0K	-169.532719
Energy at 298.15K	-169.537107
HF Energy	-168.875038
Nuclear repulsion energy	74.553677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3410	3235
2	A	3192	3028
3	A	3096	2937
4	A	1550	1470
5	A	1363	1293
6	A	1266	1201
7	A	1250	1185
8	A	1224	1161
9	A	1094	1038
10	A	972	922
11	A	908	861
12	A	736	699

Atom	x (Å)	y (Å)	z (Å)
C1	0.681	-0.348	0.016
N2	-0.747	-0.436	-0.161
O3	-0.013	0.867	0.020
H4	1.117	-0.648	0.966
H5	1.272	-0.561	-0.868
H6	-1.141	-0.587	0.771

	C1	N2	O3	H4	H5	H6
C1		1.4414	1.3997	1.0870	1.0849	1.9865
N2	1.4414		1.5068	2.1881	2.1430	1.0233
O3	1.3997	1.5068		2.1141	2.1164	1.9883
H4	1.0870	2.1881	2.1141		1.8425	2.2669
H5	1.0849	2.1430	2.1164	1.8425		2.9174
H6	1.9865	1.0233	1.9883	2.2669	2.9174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.637	C1	N2	H6	106.164
C1	O3	N2	59.326	N2	C1	O3	64.038
N2	C1	H4	119.195	N2	C1	H5	115.319
O3	C1	H4	115.888	O3	C1	H5	116.241
O3	N2	H6	101.901	H4	C1	H5	116.067

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

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVTZ

States and conformations

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