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	hartrees
Energy at 0K	-169.505894
Energy at 298.15K	-169.510317
HF Energy	-168.876705
Nuclear repulsion energy	75.019162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3453	3300	1.13
2	A	3213	3070	22.21
3	A	3119	2980	29.72
4	A	1569	1499	2.05
5	A	1381	1319	25.38
6	A	1301	1243	35.04
7	A	1276	1219	9.66
8	A	1245	1190	1.76
9	A	1112	1063	8.79
10	A	987	943	17.12
11	A	933	892	30.39
12	A	781	746	5.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.689	-0.327	0.016
N2	-0.728	-0.451	-0.161
O3	-0.041	0.859	0.021
H4	1.132	-0.615	0.964
H5	1.289	-0.518	-0.865
H6	-1.126	-0.622	0.762

	C1	N2	O3	H4	H5	H6
C1		1.4332	1.3924	1.0851	1.0833	1.9839
N2	1.4332		1.4899	2.1800	2.1371	1.0199
O3	1.3924	1.4899		2.1068	2.1094	1.9798
H4	1.0851	2.1800	2.1068		1.8383	2.2666
H5	1.0833	2.1371	2.1094	1.8383		2.9135
H6	1.9839	1.0199	1.9798	2.2666	2.9135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.851	C1	N2	H6	106.729
C1	O3	N2	59.523	N2	C1	O3	63.627
N2	C1	H4	119.266	N2	C1	H5	115.559
O3	C1	H4	115.955	O3	C1	H5	116.317
O3	N2	H6	102.538	H4	C1	H5	115.940

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

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

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