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	hartrees
Energy at 0K	-207.821136
Energy at 298.15K
HF Energy	-207.821136
Nuclear repulsion energy	104.697196

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'	3287	3131	0.16	63.30	0.69	0.82
2	A'	3189	3037	4.69	160.15	0.19	0.31
3	A'	3168	3018	2.00	21.16	0.26	0.41
4	A'	1727	1645	10.84	14.28	0.09	0.17
5	A'	1682	1602	112.43	84.18	0.31	0.47
6	A'	1399	1333	23.09	17.85	0.47	0.64
7	A'	1274	1214	3.20	6.51	0.58	0.73
8	A'	1155	1100	63.83	23.58	0.47	0.64
9	A'	901	858	25.70	0.25	0.65	0.79
10	A'	620	591	1.58	6.46	0.26	0.41
11	A'	346	330	1.73	0.61	0.74	0.85
12	A"	1011	963	37.63	1.70	0.75	0.86
13	A"	1010	963	11.11	1.71	0.75	0.86
14	A"	688	655	1.12	7.45	0.75	0.86
15	A"	176	167	0.03	1.33	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.206	1.217
C2	0.000	0.648
N3	-0.047	-0.784
O4	-1.172	-1.222
H5	2.096	0.583
H6	1.333	2.301
H7	-0.958	1.181

	C1	C2	N3	O4	H5	H6	H7
C1		1.3335	2.3606	3.4066	1.0927	1.0909	2.1640
C2	1.3335		1.4326	2.2071	2.0970	2.1230	1.0958
N3	2.3606	1.4326		1.2079	2.5415	3.3788	2.1654
O4	3.4066	2.2071	1.2079		3.7335	4.3225	2.4122
H5	1.0927	2.0970	2.5415	3.7335		1.8794	3.1116
H6	1.0909	2.1230	3.3788	4.3225	1.8794		2.5497
H7	2.1640	1.0958	2.1654	2.4122	3.1116	2.5497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.124	C1	C2	H7	125.666
C2	C1	H5	119.277	C2	C1	H6	121.935
C2	N3	O4	113.138	N3	C2	H7	117.210
H5	C1	H6	118.788

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	0.006
2	C	-0.003
3	N	0.005
4	O	-0.181
5	H	0.068
6	H	0.075
7	H	0.030

	x	y	z	Total
	1.317	2.679	0.000	2.986
CHELPG
AIM
ESP

	x	y	z
x	6.485	2.055	0.000
y	2.055	5.801	0.000
z	0.000	0.000	2.159

<r²>	75.762
(<r²>)^1/2	8.704

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)