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	hartrees
Energy at 0K	-169.403983
Energy at 298.15K	-169.408425
HF Energy	-168.870229
Nuclear repulsion energy	75.157998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3501	3274	1.75
2	A	3262	3050	22.27
3	A	3161	2957	24.15
4	A	1594	1491	2.24
5	A	1375	1286	19.57
6	A	1315	1230	31.71
7	A	1297	1213	10.69
8	A	1266	1184	1.98
9	A	1130	1057	10.92
10	A	1005	940	18.59
11	A	941	880	33.22
12	A	810	757	4.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.697	-0.316	0.016
N2	-0.721	-0.457	-0.161
O3	-0.057	0.853	0.022
H4	1.143	-0.595	0.964
H5	1.299	-0.492	-0.865
H6	-1.119	-0.647	0.758

	C1	N2	O3	H4	H5	H6
C1		1.4354	1.3906	1.0845	1.0823	1.9889
N2	1.4354		1.4799	2.1819	2.1398	1.0192
O3	1.3906	1.4799		2.1036	2.1068	1.9795
H4	1.0845	2.1819	2.1036		1.8385	2.2724
H5	1.0823	2.1398	2.1068	1.8385		2.9165
H6	1.9889	1.0192	1.9795	2.2724	2.9165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.954	C1	N2	H6	107.019
C1	O3	N2	59.914	N2	C1	O3	63.132
N2	C1	H4	119.304	N2	C1	H5	115.691
O3	C1	H4	115.848	O3	C1	H5	116.296
O3	N2	H6	103.211	H4	C1	H5	116.094

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

using model chemistry: MP3/TZVP

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: MP3/TZVP

States and conformations

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