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	hartrees
Energy at 0K	-32.409581
Energy at 298.15K	-32.414037
HF Energy	-32.409581
Nuclear repulsion energy	41.921392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3677	3355	5.73
2	A	3421	3122	22.34
3	A	3292	3004	21.34
4	A	1656	1511	0.94
5	A	1423	1299	24.84
6	A	1370	1250	39.55
7	A	1330	1214	5.55
8	A	1323	1207	23.80
9	A	1169	1067	7.61
10	A	1059	966	31.05
11	A	878	801	50.50
12	A	806	735	6.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.723	-0.306	0.020
N2	-0.696	-0.499	-0.155
O3	-0.100	0.878	0.018
H4	1.179	-0.535	0.966
H5	1.327	-0.452	-0.854
H6	-1.172	-0.704	0.711

	C1	N2	O3	H4	H5	H6
C1		1.4427	1.4421	1.0753	1.0717	2.0561
N2	1.4427		1.5111	2.1849	2.1407	1.0095
O3	1.4421	1.5111		2.1284	2.1360	2.0330
H4	1.0753	2.1849	2.1284		1.8280	2.3707
H5	1.0717	2.1407	2.1360	1.8280		2.9594
H6	2.0561	1.0095	2.0330	2.3707	2.9594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	58.392	C1	N2	H6	112.767
C1	O3	N2	58.431	N2	C1	O3	63.177
N2	C1	H4	119.681	N2	C1	H5	115.939
O3	C1	H4	114.668	O3	C1	H5	115.571
O3	N2	H6	105.803	H4	C1	H5	116.735

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

using model chemistry: HF/CEP-121G

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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Number	Element	Mulliken
1	C	-0.030
2	N	-0.233
3	O	-0.342
4	H	0.155
5	H	0.169
6	H	0.281

	x	y	z	Total
	1.716	-2.318	1.918	3.464
CHELPG
AIM
ESP

	x	y	z
x	3.662	0.138	-0.086
y	0.138	3.187	-0.060
z	-0.086	-0.060	2.394

<r²>	29.797
(<r²>)^1/2	5.459

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

using model chemistry: HF/CEP-121G

States and conformations

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