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	hartrees
Energy at 0K	-169.324649
Energy at 298.15K	-169.329046
HF Energy	-168.822249
Nuclear repulsion energy	74.411940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3433	3263	1.05
2	A	3247	3086	29.01
3	A	3139	2984	27.00
4	A	1551	1474	2.58
5	A	1369	1301	21.19
6	A	1283	1219	26.27
7	A	1255	1193	12.69
8	A	1224	1163	2.34
9	A	1092	1038	11.39
10	A	974	926	17.16
11	A	930	884	25.09
12	A	750	712	2.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.688	-0.333	0.017
N2	-0.738	-0.451	-0.162
O3	-0.033	0.867	0.020
H4	1.142	-0.629	0.971
H5	1.289	-0.539	-0.876
H6	-1.126	-0.610	0.781

	C1	N2	O3	H4	H5	H6
C1		1.4424	1.4003	1.0979	1.0957	1.9882
N2	1.4424		1.5060	2.2028	2.1516	1.0316
O3	1.4003	1.5060		2.1271	2.1281	1.9887
H4	1.0979	2.2028	2.1271		1.8555	2.2768
H5	1.0957	2.1516	2.1281	1.8555		2.9302
H6	1.9882	1.0316	1.9887	2.2768	2.9302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.661	C1	N2	H6	105.761
C1	O3	N2	59.376	N2	C1	O3	63.963
N2	C1	H4	119.645	N2	C1	H5	115.247
O3	C1	H4	116.217	O3	C1	H5	116.458
O3	N2	H6	101.557	H4	C1	H5	115.529

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

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