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	hartrees
Energy at 0K	-133.895770
Energy at 298.15K	-133.901961
Nuclear repulsion energy	76.416112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3564	3391	0.29
2	A'	3242	3085	34.77
3	A'	3151	2998	16.19
4	A'	1553	1478	1.53
5	A'	1319	1255	1.08
6	A'	1268	1207	23.31
7	A'	1134	1079	6.01
8	A'	1015	966	7.52
9	A'	908	864	60.96
10	A'	782	744	25.90
11	A"	3229	3072	0.58
12	A"	3144	2992	31.14
13	A"	1514	1441	0.00
14	A"	1287	1224	9.81
15	A"	1162	1105	3.11
16	A"	1118	1064	2.84
17	A"	929	884	12.91
18	A"	918	874	0.02

Atom	x (Å)	y (Å)	z (Å)
N1	-0.038	0.867	0.000
H2	0.894	1.271	0.000
C3	-0.038	-0.393	0.739
C4	-0.038	-0.393	-0.739
H5	-0.954	-0.605	1.282
H6	0.870	-0.709	1.247
H7	-0.954	-0.605	-1.282
H8	0.870	-0.709	-1.247

	N1	H2	C3	C4	H5	H6	H7	H8
N1		1.0153	1.4612	1.4612	2.1568	2.2055	2.1568	2.2055
H2	1.0153		2.0451	2.0451	2.9287	2.3398	2.9287	2.3398
C3	1.4612	2.0451		1.4790	1.0856	1.0869	2.2296	2.2068
C4	1.4612	2.0451	1.4790		2.2296	2.2068	1.0856	1.0869
H5	2.1568	2.9287	1.0856	2.2296		1.8269	2.5642	3.1197
H6	2.2055	2.3398	1.0869	2.2068	1.8269		3.1197	2.4940
H7	2.1568	2.9287	2.2296	1.0856	2.5642	3.1197		1.8269
H8	2.2055	2.3398	2.2068	1.0869	3.1197	2.4940	1.8269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C4	59.598	N1	C3	H5	114.945
N1	C3	H6	119.159	N1	C4	C3	59.598
N1	C4	H7	114.945	N1	C4	H8	119.159
H2	N1	C3	110.026	H2	N1	C4	110.026
C3	N1	C4	60.803	C3	C4	H7	119.989
C3	C4	H8	117.835	C4	C3	H5	119.989
C4	C3	H6	117.835	H5	C3	H6	114.471
H7	C4	H8	114.471

All results from a given calculation for C₂H₅N (Aziridine)

using model chemistry: mPW1PW91/6-31G**

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	-0.494
2	H	0.268
3	C	-0.171
4	C	-0.171
5	H	0.150
6	H	0.134
7	H	0.150
8	H	0.134

	x	y	z	Total
	1.404	-1.100	0.000	1.784
CHELPG
AIM
ESP

<r²>	39.304
(<r²>)^1/2	6.269

All results from a given calculation for C2H5N (Aziridine)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for C₂H₅N (Aziridine)