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	hartrees
Energy at 0K	-207.899019
Energy at 298.15K
HF Energy	-207.899019
Nuclear repulsion energy	105.223114

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'	3268	3268	0.38	57.29	0.66	0.80
2	A'	3182	3182	4.88	157.51	0.16	0.28
3	A'	3163	3163	1.87	24.95	0.22	0.36
4	A'	1715	1715	7.57	26.61	0.08	0.15
5	A'	1658	1658	135.79	96.75	0.33	0.50
6	A'	1424	1424	24.18	20.68	0.42	0.59
7	A'	1296	1296	1.87	7.79	0.31	0.47
8	A'	1160	1160	72.79	27.25	0.43	0.60
9	A'	905	905	31.79	0.69	0.75	0.86
10	A'	623	623	0.98	7.07	0.17	0.28
11	A'	357	357	1.43	0.65	0.68	0.81
12	A"	1032	1032	15.29	3.96	0.75	0.86
13	A"	1015	1015	40.90	0.22	0.75	0.86
14	A"	694	694	1.54	2.11	0.75	0.86
15	A"	172	172	0.06	0.52	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.199	1.213
C2	0.000	0.650
N3	-0.049	-0.776
O4	-1.164	-1.224
H5	2.083	0.589
H6	1.324	2.285
H7	-0.948	1.177

	C1	C2	N3	O4	H5	H6	H7
C1		1.3245	2.3479	3.3942	1.0819	1.0800	2.1470
C2	1.3245		1.4272	2.2060	2.0840	2.1040	1.0846
N3	2.3479	1.4272		1.2019	2.5315	3.3553	2.1508
O4	3.3942	2.2060	1.2019		3.7189	4.3017	2.4111
H5	1.0819	2.0840	2.5315	3.7189		1.8587	3.0874
H6	1.0800	2.1040	3.3553	4.3017	1.8587		2.5272
H7	2.1470	1.0846	2.1508	2.4111	3.0874	2.5272

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.090	C1	C2	H7	125.761
C2	C1	H5	119.660	C2	C1	H6	121.769
C2	N3	O4	113.809	N3	C2	H7	117.150
H5	C1	H6	118.571

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: wB97X-D/cc-pVQZ

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	-0.044
2	C	0.034
3	N	0.048
4	O	-0.215
5	H	0.066
6	H	0.089
7	H	0.021

	x	y	z	Total
	1.345	2.841	0.000	3.143
CHELPG
AIM
ESP

	x	y	z
x	7.038	2.057	0.000
y	2.057	6.595	0.000
z	0.000	0.000	3.388

<r²>	75.414
(<r²>)^1/2	8.684

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)