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	hartrees
Energy at 0K	-206.613265
Energy at 298.15K
HF Energy	-206.613265
Nuclear repulsion energy	104.414248

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'	3477	3129	6.90	59.79	0.68	0.81
2	A'	3402	3061	8.54	101.38	0.23	0.37
3	A'	3363	3026	3.09	55.58	0.12	0.21
4	A'	1825	1642	5.00	139.75	0.21	0.35
5	A'	1750	1575	165.46	125.02	0.32	0.48
6	A'	1564	1408	16.89	32.39	0.38	0.55
7	A'	1413	1271	7.04	21.19	0.47	0.64
8	A'	1277	1149	48.18	42.03	0.57	0.73
9	A'	994	894	22.01	1.77	0.68	0.81
10	A'	648	583	8.22	8.37	0.32	0.48
11	A'	374	337	1.89	0.35	0.75	0.86
12	A"	1180	1062	47.11	13.05	0.75	0.86
13	A"	1106	995	50.28	4.09	0.75	0.86
14	A"	763	686	3.22	9.69	0.75	0.86
15	A"	195	176	0.03	0.93	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.194	1.243
C2	0.000	0.653
N3	-0.043	-0.779
O4	-1.163	-1.258
H5	2.094	0.659
H6	1.288	2.311
H7	-0.941	1.170

	C1	C2	N3	O4	H5	H6	H7
C1		1.3318	2.3704	3.4370	1.0733	1.0720	2.1359
C2	1.3318		1.4326	2.2373	2.0941	2.1000	1.0739
N3	2.3704	1.4326		1.2187	2.5757	3.3647	2.1465
O4	3.4370	2.2373	1.2187		3.7798	4.3302	2.4388
H5	1.0733	2.0941	2.5757	3.7798		1.8380	3.0778
H6	1.0720	2.1000	3.3647	4.3302	1.8380		2.5043
H7	2.1359	1.0739	2.1465	2.4388	3.0778	2.5043

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	118.024	C1	C2	H7	124.872
C2	C1	H5	120.704	C2	C1	H6	121.387
C2	N3	O4	114.857	N3	C2	H7	117.104
H5	C1	H6	117.909

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/LANL2DZ

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	-0.363
2	C	-0.078
3	N	0.069
4	O	-0.289
5	H	0.218
6	H	0.210
7	H	0.232

	x	y	z	Total
	1.762	3.546	0.000	3.959
CHELPG
AIM
ESP

	x	y	z
x	6.749	2.635	0.000
y	2.635	5.351	0.000
z	0.000	0.000	1.870

<r²>	77.191
(<r²>)^1/2	8.786

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)