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	hartrees
Energy at 0K	-169.543036
Energy at 298.15K	-169.547493
HF Energy	-168.878130
Nuclear repulsion energy	75.588050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3514	3278	0.81
2	A	3251	3032	19.09
3	A	3172	2958	25.32
4	A	1591	1484	1.52
5	A	1396	1302	26.22
6	A	1329	1240	33.57
7	A	1300	1212	12.92
8	A	1269	1184	0.98
9	A	1134	1057	8.84
10	A	1004	937	18.45
11	A	964	899	31.21
12	A	828	773	4.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.697	-0.305	0.016
N2	-0.710	-0.463	-0.161
O3	-0.069	0.847	0.022
H4	1.145	-0.579	0.958
H5	1.299	-0.474	-0.861
H6	-1.104	-0.657	0.754

	C1	N2	O3	H4	H5	H6
C1		1.4268	1.3840	1.0787	1.0771	1.9782
N2	1.4268		1.4697	2.1695	2.1273	1.0144
O3	1.3840	1.4697		2.0942	2.0973	1.9667
H4	1.0787	2.1695	2.0942		1.8290	2.2602
H5	1.0771	2.1273	2.0973	1.8290		2.9010
H6	1.9782	1.0144	1.9667	2.2602	2.9010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.060	C1	N2	H6	107.038
C1	O3	N2	59.910	N2	C1	O3	63.029
N2	C1	H4	119.318	N2	C1	H5	115.622
O3	C1	H4	115.954	O3	C1	H5	116.344
O3	N2	H6	103.158	H4	C1	H5	116.079

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVTZ

States and conformations

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