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	hartrees
Energy at 0K	-207.825346
Energy at 298.15K
HF Energy	-207.825346
Nuclear repulsion energy	104.818172

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'	3304	3143	0.56	60.15	0.69	0.82
2	A'	3208	3053	4.51	152.67	0.16	0.27
3	A'	3191	3037	3.12	15.62	0.59	0.74
4	A'	1720	1637	4.96	13.77	0.12	0.22
5	A'	1658	1577	119.88	72.02	0.29	0.44
6	A'	1424	1355	22.27	20.24	0.40	0.57
7	A'	1293	1230	1.54	7.23	0.52	0.69
8	A'	1168	1111	69.11	22.87	0.50	0.67
9	A'	909	865	25.72	0.11	0.40	0.57
10	A'	620	590	2.17	6.92	0.26	0.42
11	A'	344	327	1.36	0.65	0.68	0.81
12	A"	1019	970	38.91	0.13	0.75	0.86
13	A"	1012	963	17.63	1.65	0.75	0.86
14	A"	688	655	0.59	7.83	0.75	0.86
15	A"	180	171	0.09	1.39	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.207	1.212
C2	0.000	0.645
N3	-0.045	-0.777
O4	-1.176	-1.219
H5	2.091	0.583
H6	1.338	2.287
H7	-0.950	1.176

	C1	C2	N3	O4	H5	H6	H7
C1		1.3337	2.3504	3.4049	1.0847	1.0830	2.1572
C2	1.3337		1.4231	2.2047	2.0917	2.1184	1.0880
N3	2.3504	1.4231		1.2150	2.5318	3.3620	2.1527
O4	3.4049	2.2047	1.2150		3.7313	4.3152	2.4062
H5	1.0847	2.0917	2.5318	3.7313		1.8629	3.0978
H6	1.0830	2.1184	3.3620	4.3152	1.8629		2.5437
H7	2.1572	1.0880	2.1527	2.4062	3.0978	2.5437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.953	C1	C2	H7	125.640
C2	C1	H5	119.392	C2	C1	H6	122.120
C2	N3	O4	113.143	N3	C2	H7	117.407
H5	C1	H6	118.488

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: mPW1PW91/6-31G**

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	-0.264
2	C	0.058
3	N	0.003
4	O	-0.283
5	H	0.172
6	H	0.163
7	H	0.151

	x	y	z	Total
	1.386	2.867	0.000	3.184
CHELPG
AIM
ESP

	x	y	z
x	6.306	2.106	0.000
y	2.106	5.837	0.000
z	0.000	0.000	2.017

<r²>	75.433
(<r²>)^1/2	8.685

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)