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	hartrees
Energy at 0K	-207.819314
Energy at 298.15K
HF Energy	-207.819314
Nuclear repulsion energy	104.702265

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	3135	0.46	62.79	0.68	0.81
2	A'	3205	3052	5.41	149.39	0.20	0.33
3	A'	3184	3032	1.66	29.82	0.20	0.33
4	A'	1721	1639	5.17	35.55	0.06	0.11
5	A'	1667	1588	154.04	111.79	0.36	0.53
6	A'	1427	1359	25.24	24.16	0.42	0.59
7	A'	1297	1235	1.58	8.59	0.30	0.47
8	A'	1171	1116	75.78	29.85	0.45	0.62
9	A'	913	869	30.84	0.47	0.72	0.84
10	A'	624	594	1.76	7.82	0.14	0.25
11	A'	356	339	1.28	0.68	0.70	0.82
12	A"	1026	977	31.77	4.34	0.75	0.86
13	A"	1007	959	40.48	0.35	0.75	0.86
14	A"	687	654	1.62	2.36	0.75	0.86
15	A"	173	164	0.10	0.47	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.209	1.213
C2	0.000	0.650
N3	-0.048	-0.777
O4	-1.176	-1.224
H5	2.096	0.585
H6	1.336	2.289
H7	-0.951	1.181

	C1	C2	N3	O4	H5	H6	H7
C1		1.3336	2.3533	3.4096	1.0860	1.0841	2.1600
C2	1.3336		1.4281	2.2127	2.0969	2.1146	1.0886
N3	2.3533	1.4281		1.2134	2.5398	3.3640	2.1561
O4	3.4096	2.2127	1.2134		3.7386	4.3190	2.4157
H5	1.0860	2.0969	2.5398	3.7386		1.8655	3.1041
H6	1.0841	2.1146	3.3640	4.3190	1.8655		2.5412
H7	2.1600	1.0886	2.1561	2.4157	3.1041	2.5412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.845	C1	C2	H7	125.892
C2	C1	H5	119.789	C2	C1	H6	121.662
C2	N3	O4	113.536	N3	C2	H7	117.262
H5	C1	H6	118.549

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: wB97X-D/6-31+G**

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	-0.173
2	C	-0.194
3	N	-0.105
4	O	-0.085
5	H	0.193
6	H	0.179
7	H	0.184

	x	y	z	Total
	1.489	3.079	0.000	3.420
CHELPG
AIM
ESP

	x	y	z
x	7.210	2.229	0.000
y	2.229	6.540	0.000
z	0.000	0.000	3.224

<r²>	76.082
(<r²>)^1/2	8.722

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)