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	hartrees
Energy at 0K	-205.125341
Energy at 298.15K
HF Energy	-205.125341
Nuclear repulsion energy	100.644879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3583	3583	2.95	40.46	0.73	0.84
2	A'	3465	3465	0.09	58.89	0.20	0.33
3	A'	3421	3421	35.79	25.13	0.19	0.33
4	A'	1830	1830	3.92	17.19	0.12	0.22
5	A'	1635	1635	12.05	14.80	0.20	0.33
6	A'	1533	1533	6.27	27.32	0.45	0.62
7	A'	1360	1360	0.42	8.00	0.68	0.81
8	A'	1158	1158	30.83	13.24	0.72	0.84
9	A'	904	904	35.80	0.62	0.61	0.76
10	A'	566	566	0.01	4.52	0.33	0.50
11	A'	320	320	0.08	0.29	0.73	0.84
12	A"	1085	1085	14.11	0.20	0.75	0.86
13	A"	1035	1035	15.85	0.26	0.75	0.86
14	A"	626	626	0.47	5.36	0.75	0.86
15	A"	132	132	0.54	1.03	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.166	1.329
C2	0.000	0.681
N3	0.017	-0.856
O4	-1.184	-1.305
H5	2.115	0.778
H6	1.225	2.424
H7	-0.984	1.176

	C1	C2	N3	O4	H5	H6	H7
C1		1.3345	2.4695	3.5307	1.0970	1.0964	2.1560
C2	1.3345		1.5374	2.3124	2.1170	2.1307	1.1016
N3	2.4695	1.5374		1.2822	2.6595	3.4960	2.2654
O4	3.5307	2.3124	1.2822		3.9018	4.4400	2.4892
H5	1.0970	2.1170	2.6595	3.9018		1.8711	3.1243
H6	1.0964	2.1307	3.4960	4.4400	1.8711		2.5375
H7	2.1560	1.1016	2.2654	2.4892	3.1243	2.5375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	118.442	C1	C2	H7	124.229
C2	C1	H5	120.765	C2	C1	H6	122.145
C2	N3	O4	109.863	N3	C2	H7	117.329
H5	C1	H6	117.090

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: wB97X-D/STO-3G

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	-0.142
2	C	-0.040
3	N	-0.032
4	O	-0.073
5	H	0.101
6	H	0.095
7	H	0.091

	x	y	z	Total
	0.320	1.827	0.000	1.855
CHELPG
AIM
ESP

	x	y	z
x	3.800	1.650	0.000
y	1.650	3.650	0.000
z	0.000	0.000	0.753

<r²>	79.457
(<r²>)^1/2	8.914

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: wB97X-D/STO-3G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)