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	hartrees
Energy at 0K	-207.804904
Energy at 298.15K
HF Energy	-207.804904
Nuclear repulsion energy	104.691450

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'	3298	3129	1.15	60.08	0.69	0.81
2	A'	3215	3049	5.65	137.79	0.19	0.32
3	A'	3195	3031	2.41	22.67	0.22	0.36
4	A'	1735	1646	2.55	20.27	0.14	0.25
5	A'	1680	1593	122.23	74.36	0.29	0.45
6	A'	1441	1367	20.78	22.14	0.40	0.57
7	A'	1305	1238	1.19	7.39	0.52	0.68
8	A'	1175	1115	67.21	24.46	0.50	0.67
9	A'	914	867	28.75	0.17	0.74	0.85
10	A'	623	590	1.77	6.31	0.27	0.42
11	A'	350	332	1.45	0.53	0.68	0.81
12	A"	1023	970	57.57	0.54	0.75	0.86
13	A"	1020	967	2.55	1.49	0.75	0.86
14	A"	689	653	0.85	8.69	0.75	0.86
15	A"	175	166	0.07	1.47	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.204	1.218
C2	0.000	0.648
N3	-0.043	-0.782
O4	-1.174	-1.223
H5	2.095	0.596
H6	1.329	2.295
H7	-0.953	1.174

	C1	C2	N3	O4	H5	H6	H7
C1		1.3319	2.3566	3.4076	1.0861	1.0846	2.1574
C2	1.3319		1.4307	2.2089	2.0954	2.1163	1.0886
N3	2.3566	1.4307		1.2141	2.5434	3.3690	2.1575
O4	3.4076	2.2089	1.2141		3.7409	4.3176	2.4072
H5	1.0861	2.0954	2.5434	3.7409		1.8634	3.1020
H6	1.0846	2.1163	3.3690	4.3176	1.8634		2.5425
H7	2.1574	1.0886	2.1575	2.4072	3.1020	2.5425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.039	C1	C2	H7	125.780
C2	C1	H5	119.776	C2	C1	H6	121.943
C2	N3	O4	113.011	N3	C2	H7	117.180
H5	C1	H6	118.281

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: wB97X-D/6-31G*

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	-0.357
2	C	0.019
3	N	0.015
4	O	-0.283
5	H	0.211
6	H	0.202
7	H	0.192

	x	y	z	Total
	1.371	2.853	0.000	3.165
CHELPG
AIM
ESP

	x	y	z
x	6.281	2.096	0.000
y	2.096	5.747	0.000
z	0.000	0.000	1.974

<r²>	75.629
(<r²>)^1/2	8.696

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)