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	hartrees
Energy at 0K	-169.339249
Energy at 298.15K	-169.343659
HF Energy	-168.822779
Nuclear repulsion energy	74.553311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3413	3233	2.47
2	A	3212	3043	32.14
3	A	3117	2952	28.60
4	A	1555	1473	4.16
5	A	1379	1307	22.33
6	A	1304	1235	29.10
7	A	1270	1203	10.74
8	A	1232	1168	1.72
9	A	1100	1042	9.55
10	A	977	926	16.41
11	A	939	889	27.00
12	A	763	723	3.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.693	-0.323	0.016
N2	-0.732	-0.456	-0.163
O3	-0.046	0.862	0.021
H4	1.151	-0.618	0.972
H5	1.304	-0.519	-0.876
H6	-1.125	-0.632	0.776

	C1	N2	O3	H4	H5	H6
C1		1.4426	1.3961	1.1004	1.0983	1.9942
N2	1.4426		1.4967	2.2049	2.1576	1.0327
O3	1.3961	1.4967		2.1272	2.1285	1.9907
H4	1.1004	2.2049	2.1272		1.8570	2.2843
H5	1.0983	2.1576	2.1285	1.8570		2.9388
H6	1.9942	1.0327	1.9907	2.2843	2.9388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.680	C1	N2	H6	106.164
C1	O3	N2	59.704	N2	C1	O3	63.616
N2	C1	H4	119.631	N2	C1	H5	115.575
O3	C1	H4	116.375	O3	C1	H5	116.643
O3	N2	H6	102.258	H4	C1	H5	115.257

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

using model chemistry: CCSD/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: CCSD/cc-pVDZ

States and conformations

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