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	hartrees
Energy at 0K	-133.896265
Energy at 298.15K	-133.902447
Nuclear repulsion energy	76.240908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3529	3382	0.70
2	A'	3230	3095	32.02
3	A'	3135	3004	13.62
4	A'	1518	1455	1.26
5	A'	1310	1256	0.61
6	A'	1263	1210	21.10
7	A'	1119	1072	4.31
8	A'	1002	960	6.27
9	A'	905	868	59.91
10	A'	775	743	19.84
11	A"	3217	3082	0.40
12	A"	3127	2996	29.11
13	A"	1473	1411	0.07
14	A"	1269	1216	8.49
15	A"	1144	1096	1.90
16	A"	1099	1053	1.99
17	A"	916	878	4.40
18	A"	910	872	6.74

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.869	0.000
H2	0.903	1.261	0.000
C3	-0.038	-0.392	0.740
C4	-0.038	-0.392	-0.740
H5	-0.961	-0.606	1.284
H6	0.874	-0.712	1.252
H7	-0.961	-0.606	-1.284
H8	0.874	-0.712	-1.252

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0202	1.4628	1.4628	2.1628	2.2134	2.1628	2.2134
H2	1.0202		2.0421	2.0421	2.9350	2.3370	2.9350	2.3370
C3	1.4628	2.0421		1.4805	1.0925	1.0936	2.2352	2.2141
C4	1.4628	2.0421	1.4805		2.2352	2.2141	1.0925	1.0936
H5	2.1628	2.9350	1.0925	2.2352		1.8387	2.5684	3.1323
H6	2.2134	2.3370	1.0936	2.2141	1.8387		3.1323	2.5036
H7	2.1628	2.9350	2.2352	1.0925	2.5684	3.1323		1.8387
H8	2.2134	2.3370	2.2141	1.0936	3.1323	2.5036	1.8387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.599	N1	C3	H5	114.869
N1	C3	H6	119.251	N1	C4	C3	59.599
N1	C4	H7	114.869	N1	C4	H8	119.251
H2	N1	C3	109.365	H2	N1	C4	109.365
C3	N1	C4	60.802	C3	C4	H7	119.861
C3	C4	H8	117.890	C4	C3	H5	119.861
C4	C3	H6	117.890	H5	C3	H6	114.509
H7	C4	H8	114.509

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: mPW1PW91/cc-pVDZ

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	-0.226
2	H	0.102
3	C	-0.040
4	C	-0.040
5	H	0.056
6	H	0.046
7	H	0.056
8	H	0.046

	x	y	z	Total
	1.278	-0.948	0.000	1.591
CHELPG
AIM
ESP

<r²>	39.480
(<r²>)^1/2	6.283

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)