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	hartrees
Energy at 0K	-207.676121
Energy at 298.15K
HF Energy	-207.676121
Nuclear repulsion energy	104.791103

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'	3292	3166	0.13	64.36	0.69	0.82
2	A'	3186	3065	3.75	173.80	0.16	0.27
3	A'	3167	3046	3.77	18.11	0.73	0.85
4	A'	1715	1650	12.45	10.75	0.08	0.14
5	A'	1657	1594	113.18	75.71	0.31	0.48
6	A'	1388	1335	24.48	16.66	0.47	0.64
7	A'	1266	1217	4.13	6.39	0.60	0.75
8	A'	1151	1107	65.84	21.63	0.46	0.63
9	A'	896	862	23.02	0.32	0.38	0.55
10	A'	619	596	2.00	7.29	0.25	0.40
11	A'	341	328	1.65	0.77	0.74	0.85
12	A"	1008	970	28.25	0.50	0.75	0.86
13	A"	1001	963	18.19	2.32	0.75	0.86
14	A"	687	661	0.84	7.16	0.75	0.86
15	A"	183	176	0.04	1.27	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.210	1.212
C2	0.000	0.646
N3	-0.049	-0.778
O4	-1.175	-1.218
H5	2.094	0.569
H6	1.345	2.295
H7	-0.957	1.181

	C1	C2	N3	O4	H5	H6	H7
C1		1.3361	2.3549	3.4051	1.0929	1.0910	2.1670
C2	1.3361		1.4244	2.2033	2.0954	2.1281	1.0965
N3	2.3549	1.4244		1.2089	2.5313	3.3741	2.1594
O4	3.4051	2.2033	1.2089		3.7257	4.3234	2.4096
H5	1.0929	2.0954	2.5313	3.7257		1.8808	3.1115
H6	1.0910	2.1281	3.3741	4.3234	1.8808		2.5570
H7	2.1670	1.0965	2.1594	2.4096	3.1115	2.5570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.057	C1	C2	H7	125.665
C2	C1	H5	118.892	C2	C1	H6	122.199
C2	N3	O4	113.334	N3	C2	H7	117.277
H5	C1	H6	118.909

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/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	0.010
2	C	0.008
3	N	-0.001
4	O	-0.182
5	H	0.067
6	H	0.074
7	H	0.024

	x	y	z	Total
	1.334	2.689	0.000	3.002
CHELPG
AIM
ESP

	x	y	z
x	6.516	2.043	0.000
y	2.043	5.910	0.000
z	0.000	0.000	2.162

<r²>	75.645
(<r²>)^1/2	8.697

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)