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	hartrees
Energy at 0K	-133.861621
Energy at 298.15K	-133.867801
Nuclear repulsion energy	76.461864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3550	3389	0.19
2	A'	3233	3086	36.12
3	A'	3142	3000	16.53
4	A'	1544	1474	1.70
5	A'	1314	1254	0.63
6	A'	1262	1205	22.53
7	A'	1127	1076	5.29
8	A'	1007	961	6.48
9	A'	907	866	61.49
10	A'	774	739	24.70
11	A"	3220	3074	0.57
12	A"	3135	2994	31.59
13	A"	1504	1436	0.01
14	A"	1277	1220	9.65
15	A"	1153	1101	2.79
16	A"	1107	1057	2.59
17	A"	922	880	9.61
18	A"	918	877	2.92

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.867	0.000
H2	0.895	1.268	0.000
C3	-0.038	-0.393	0.739
C4	-0.038	-0.393	-0.739
H5	-0.954	-0.605	1.281
H6	0.869	-0.709	1.247
H7	-0.954	-0.605	-1.281
H8	0.869	-0.709	-1.247

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0156	1.4603	1.4603	2.1555	2.2050	2.1555	2.2050
H2	1.0156		2.0430	2.0430	2.9271	2.3378	2.9271	2.3378
C3	1.4603	2.0430		1.4774	1.0854	1.0865	2.2275	2.2057
C4	1.4603	2.0430	1.4774		2.2275	2.2057	1.0854	1.0865
H5	2.1555	2.9271	1.0854	2.2275		1.8261	2.5611	3.1180
H6	2.2050	2.3378	1.0865	2.2057	1.8261		3.1180	2.4939
H7	2.1555	2.9271	2.2275	1.0854	2.5611	3.1180		1.8261
H8	2.2050	2.3378	2.2057	1.0865	3.1180	2.4939	1.8261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.612	N1	C3	H5	114.915
N1	C3	H6	119.216	N1	C4	C3	59.612
N1	C4	H7	114.915	N1	C4	H8	119.216
H2	N1	C3	109.905	H2	N1	C4	109.905
C3	N1	C4	60.776	C3	C4	H7	119.947
C3	C4	H8	117.888	C4	C3	H5	119.947
C4	C3	H6	117.888	H5	C3	H6	114.444
H7	C4	H8	114.444

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: B1B95/6-31G**

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	N	-0.483
2	H	0.261
3	C	-0.150
4	C	-0.150
5	H	0.138
6	H	0.123
7	H	0.138
8	H	0.123

	x	y	z	Total
	1.388	-1.074	0.000	1.755
CHELPG
AIM
ESP

	x	y	z
x	3.800	0.208	0.000
y	0.208	3.558	0.000
z	0.000	0.000	4.412

<r²>	39.274
(<r²>)^1/2	6.267

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)