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	hartrees
Energy at 0K	-207.756383
Energy at 298.15K
HF Energy	-207.756383
Nuclear repulsion energy	103.716846

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'	3218	3155	3.79	66.13	0.69	0.82
2	A'	3126	3065	4.59	144.80	0.13	0.22
3	A'	3100	3039	15.59	45.24	0.50	0.67
4	A'	1645	1612	0.93	17.20	0.13	0.24
5	A'	1523	1494	103.34	35.44	0.31	0.47
6	A'	1399	1372	20.76	20.81	0.37	0.54
7	A'	1267	1242	0.73	8.12	0.52	0.68
8	A'	1116	1094	67.73	19.08	0.51	0.68
9	A'	865	848	36.65	0.09	0.22	0.37
10	A'	597	585	0.74	8.67	0.27	0.42
11	A'	337	331	1.23	0.88	0.67	0.80
12	A"	986	967	31.63	0.12	0.75	0.86
13	A"	961	942	17.23	0.94	0.75	0.86
14	A"	650	638	0.29	7.53	0.75	0.86
15	A"	178	175	0.12	1.43	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.217	1.227
C2	0.000	0.651
N3	-0.041	-0.784
O4	-1.189	-1.234
H5	2.108	0.598
H6	1.348	2.309
H7	-0.955	1.187

	C1	C2	N3	O4	H5	H6	H7
C1		1.3467	2.3722	3.4426	1.0910	1.0895	2.1724
C2	1.3467		1.4352	2.2292	2.1090	2.1366	1.0951
N3	2.3722	1.4352		1.2334	2.5552	3.3901	2.1723
O4	3.4426	2.2292	1.2334		3.7725	4.3580	2.4331
H5	1.0910	2.1090	2.5552	3.7725		1.8725	3.1194
H6	1.0895	2.1366	3.3901	4.3580	1.8725		2.5612
H7	2.1724	1.0951	2.1723	2.4331	3.1194	2.5612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.979	C1	C2	H7	125.346
C2	C1	H5	119.433	C2	C1	H6	122.219
C2	N3	O4	113.088	N3	C2	H7	117.674
H5	C1	H6	118.349

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B97D3/6-31G*

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	-0.311
2	C	0.060
3	N	-0.008
4	O	-0.273
5	H	0.189
6	H	0.182
7	H	0.160

	x	y	z	Total
	1.410	2.905	0.000	3.229
CHELPG
AIM
ESP

	x	y	z
x	6.408	2.167	0.000
y	2.167	6.163	0.000
z	0.000	0.000	1.994

<r²>	76.705
(<r²>)^1/2	8.758

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)