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	hartrees
Energy at 0K	-169.477751
Energy at 298.15K	-169.482125
HF Energy	-168.852583
Nuclear repulsion energy	74.379898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3418	3286
2	A	3199	3076
3	A	3102	2983
4	A	1562	1502
5	A	1355	1303
6	A	1269	1220
7	A	1248	1200
8	A	1226	1179
9	A	1095	1053
10	A	973	936
11	A	911	876
12	A	709	681

Atom	x (Å)	y (Å)	z (Å)
C1	0.674	-0.360	0.016
N2	-0.758	-0.424	-0.161
O3	0.006	0.870	0.020
H4	1.109	-0.672	0.969
H5	1.264	-0.588	-0.871
H6	-1.156	-0.568	0.774

	C1	N2	O3	H4	H5	H6
C1		1.4437	1.3996	1.0922	1.0896	1.9909
N2	1.4437		1.5129	2.1955	2.1487	1.0265
O3	1.3996	1.5129		2.1198	2.1212	1.9958
H4	1.0922	2.1955	2.1198		1.8479	2.2748
H5	1.0896	2.1487	2.1212	1.8479		2.9258
H6	1.9909	1.0265	1.9958	2.2748	2.9258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.451	C1	N2	H6	106.172
C1	O3	N2	59.279	N2	C1	O3	64.269
N2	C1	H4	119.292	N2	C1	H5	115.316
O3	C1	H4	116.030	O3	C1	H5	116.344
O3	N2	H6	101.907	H4	C1	H5	115.770

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

using model chemistry: MP4=FULL/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: MP4=FULL/6-311G**

States and conformations

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