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	hartrees
Energy at 0K	-169.378941
Energy at 298.15K	-169.383361
HF Energy	-168.837798
Nuclear repulsion energy	74.517809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3466	3466	1.63
2	A	3248	3248	17.41
3	A	3145	3145	25.69
4	A	1551	1551	1.47
5	A	1375	1375	24.45
6	A	1295	1295	30.80
7	A	1272	1272	12.91
8	A	1238	1238	1.49
9	A	1102	1102	8.38
10	A	986	986	16.88
11	A	935	935	32.26
12	A	780	780	4.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.699	-0.322	0.017
N2	-0.728	-0.460	-0.162
O3	-0.053	0.862	0.021
H4	1.151	-0.602	0.974
H5	1.303	-0.503	-0.877
H6	-1.127	-0.639	0.767

	C1	N2	O3	H4	H5	H6
C1		1.4452	1.4027	1.0950	1.0933	1.9998
N2	1.4452		1.4956	2.2005	2.1539	1.0264
O3	1.4027	1.4956		2.1215	2.1234	1.9904
H4	1.0950	2.2005	2.1215		1.8592	2.2882
H5	1.0933	2.1539	2.1234	1.8592		2.9370
H6	1.9998	1.0264	1.9904	2.2882	2.9370

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.946	C1	N2	H6	106.795
C1	O3	N2	59.717	N2	C1	O3	63.337
N2	C1	H4	119.421	N2	C1	H5	115.405
O3	C1	H4	115.738	O3	C1	H5	116.035
O3	N2	H6	102.636	H4	C1	H5	116.341

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

using model chemistry: MP3=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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