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	hartrees
Energy at 0K	-207.884068
Energy at 298.15K
HF Energy	-207.884068
Nuclear repulsion energy	104.327736

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'	3271	3143	1.29	61.70	0.69	0.82
2	A'	3179	3054	4.32	153.44	0.14	0.25
3	A'	3162	3038	4.87	17.95	0.75	0.85
4	A'	1695	1628	1.06	20.92	0.15	0.25
5	A'	1602	1539	113.57	55.77	0.30	0.46
6	A'	1422	1366	19.98	21.87	0.39	0.56
7	A'	1288	1238	0.94	8.20	0.52	0.68
8	A'	1151	1106	68.41	23.28	0.50	0.67
9	A'	897	862	29.22	0.06	0.63	0.77
10	A'	613	589	1.77	7.31	0.26	0.42
11	A'	346	333	1.41	0.69	0.68	0.81
12	A"	1013	973	33.67	0.14	0.75	0.86
13	A"	1002	963	14.14	1.29	0.75	0.86
14	A"	682	655	0.33	8.07	0.75	0.86
15	A"	184	176	0.05	1.42	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.206	1.225
C2	0.000	0.647
N3	-0.040	-0.781
O4	-1.178	-1.231
H5	2.097	0.605
H6	1.329	2.302
H7	-0.954	1.174

	C1	C2	N3	O4	H5	H6	H7
C1		1.3372	2.3616	3.4231	1.0858	1.0844	2.1604
C2	1.3372		1.4291	2.2175	2.0977	2.1223	1.0893
N3	2.3616	1.4291		1.2242	2.5473	3.3736	2.1577
O4	3.4231	2.2175	1.2242		3.7551	4.3325	2.4150
H5	1.0858	2.0977	2.5473	3.7551		1.8636	3.1036
H6	1.0844	2.1223	3.3736	4.3325	1.8636		2.5463
H7	2.1604	1.0893	2.1577	2.4150	3.1036	2.5463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.196	C1	C2	H7	125.524
C2	C1	H5	119.576	C2	C1	H6	122.082
C2	N3	O4	113.165	N3	C2	H7	117.280
H5	C1	H6	118.342

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYPultrafine/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	-0.203
2	C	0.095
3	N	-0.003
4	O	-0.280
5	H	0.142
6	H	0.134
7	H	0.115

	x	y	z	Total
	1.391	2.871	0.000	3.190
CHELPG
AIM
ESP

	x	y	z
x	6.326	2.134	0.000
y	2.134	5.943	0.000
z	0.000	0.000	2.006

<r²>	76.104
(<r²>)^1/2	8.724

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYPultrafine/6-31G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)