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	hartrees
Energy at 0K	-207.882054
Energy at 298.15K
HF Energy	-207.882054
Nuclear repulsion energy	105.048188

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'	3259	3259	0.36	57.94	0.67	0.81
2	A'	3166	3166	4.42	175.52	0.14	0.24
3	A'	3149	3149	4.32	18.93	0.74	0.85
4	A'	1688	1688	5.17	24.97	0.07	0.14
5	A'	1609	1609	134.42	78.55	0.33	0.50
6	A'	1410	1410	24.85	19.62	0.39	0.57
7	A'	1282	1282	1.79	7.69	0.34	0.50
8	A'	1146	1146	76.97	24.80	0.44	0.61
9	A'	894	894	31.58	0.39	0.41	0.58
10	A'	616	616	1.31	8.16	0.19	0.32
11	A'	348	348	1.32	0.85	0.66	0.79
12	A"	1015	1015	9.05	3.22	0.75	0.86
13	A"	1006	1006	45.98	0.18	0.75	0.86
14	A"	685	685	0.94	2.30	0.75	0.86
15	A"	178	178	0.08	0.52	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.205	1.211
C2	0.000	0.648
N3	-0.049	-0.773
O4	-1.170	-1.224
H5	2.087	0.583
H6	1.335	2.285
H7	-0.948	1.180

	C1	C2	N3	O4	H5	H6	H7
C1		1.3299	2.3471	3.4011	1.0836	1.0817	2.1526
C2	1.3299		1.4215	2.2070	2.0882	2.1127	1.0869
N3	2.3471	1.4215		1.2081	2.5300	3.3567	2.1496
O4	3.4011	2.2070	1.2081		3.7244	4.3113	2.4137
H5	1.0836	2.0882	2.5300	3.7244		1.8612	3.0931
H6	1.0817	2.1127	3.3567	4.3113	1.8612		2.5364
H7	2.1526	1.0869	2.1496	2.4137	3.0931	2.5364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.052	C1	C2	H7	125.614
C2	C1	H5	119.462	C2	C1	H6	122.003
C2	N3	O4	113.886	N3	C2	H7	117.333
H5	C1	H6	118.535

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3PW91/Def2TZVPP

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	-0.149
2	C	-0.040
3	N	0.079
4	O	-0.240
5	H	0.120
6	H	0.128
7	H	0.103

	x	y	z	Total
	1.403	2.928	0.000	3.247
CHELPG
AIM
ESP

	x	y	z
x	6.983	2.156	0.000
y	2.156	6.612	0.000
z	0.000	0.000	3.269

<r²>	75.591
(<r²>)^1/2	8.694

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3PW91/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)