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	hartrees
Energy at 0K	-172.088358
Energy at 298.15K	-172.096756
HF Energy	-172.088358
Nuclear repulsion energy	124.920130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3465	3337	0.94
2	A'	3300	3179	9.46
3	A'	3196	3079	4.39
4	A'	3092	2979	58.45
5	A'	1719	1656	12.12
6	A'	1514	1458	12.04
7	A'	1422	1370	24.28
8	A'	1235	1190	2.33
9	A'	1187	1144	1.40
10	A'	1077	1037	36.26
11	A'	1019	981	0.81
12	A'	829	799	2.30
13	A'	791	762	4.57
14	A'	656	632	224.37
15	A'	404	389	5.59
16	A"	3565	3434	0.30
17	A"	3285	3164	0.21
18	A"	3189	3072	11.91
19	A"	1489	1434	7.57
20	A"	1290	1242	1.73
21	A"	1218	1173	0.05
22	A"	1153	1111	0.39
23	A"	1104	1064	6.50
24	A"	900	867	4.66
25	A"	857	826	5.47
26	A"	411	396	12.48
27	A"	285	275	43.43

Atom	x (Å)	y (Å)	z (Å)
C1	-0.333	0.437	0.000
H2	-1.279	0.985	0.000
N3	0.918	1.150	0.000
C4	-0.333	-0.874	0.759
C5	-0.333	-0.874	-0.759
H6	1.065	1.708	0.842
H7	1.065	1.708	-0.842
H8	-1.241	-1.170	1.272
H9	-1.241	-1.170	-1.272
H10	0.602	-1.124	1.243
H11	0.602	-1.124	-1.243

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0931	1.4401	1.5153	1.5153	2.0680	2.0680	2.2414	2.2414	2.2039	2.2039
H2	1.0931		2.2035	2.2198	2.2198	2.5933	2.5933	2.5024	2.5024	3.0875	3.0875
N3	1.4401	2.2035		2.4980	2.4980	1.0201	1.0201	3.4148	3.4148	2.6108	2.6108
C4	1.5153	2.2198	2.4980		1.5176	2.9372	3.3440	1.0836	2.2436	1.0825	2.2233
C5	1.5153	2.2198	2.4980	1.5176		3.3440	2.9372	2.2436	1.0836	2.2233	1.0825
H6	2.0680	2.5933	1.0201	2.9372	3.3440		1.6836	3.7122	4.2500	2.8970	3.5463
H7	2.0680	2.5933	1.0201	3.3440	2.9372	1.6836		4.2500	3.7122	3.5463	2.8970
H8	2.2414	2.5024	3.4148	1.0836	2.2436	3.7122	4.2500		2.5431	1.8440	3.1177
H9	2.2414	2.5024	3.4148	2.2436	1.0836	4.2500	3.7122	2.5431		3.1177	1.8440
H10	2.2039	3.0875	2.6108	1.0825	2.2233	2.8970	3.5463	1.8440	3.1177		2.4851
H11	2.2039	3.0875	2.6108	2.2233	1.0825	3.5463	2.8970	3.1177	1.8440	2.4851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	113.294	C1	N3	H7	113.294
C1	C4	C5	59.948	C1	C4	H8	118.240
C1	C4	H10	115.061	C1	C5	C4	59.948
C1	C5	H9	118.240	C1	C5	H11	115.061
H2	C1	N3	120.259	H2	C1	C4	115.702
H2	C1	C5	115.702	N3	C1	C4	115.371
N3	C1	C5	115.371	C4	C1	C5	60.103
C4	C5	H9	118.241	C4	C5	H11	116.544
C5	C4	H8	118.241	C5	C4	H10	116.544
H6	N3	H7	111.209	H8	C4	H10	116.713
H9	C5	H11	116.713

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: HSEh1PBE/3-21G

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	-0.137
2	H	0.200
3	N	-0.697
4	C	-0.427
5	C	-0.427
6	H	0.286
7	H	0.286
8	H	0.218
9	H	0.218
10	H	0.240
11	H	0.240

	x	y	z	Total
	-0.554	1.198	0.000	1.320
CHELPG
AIM
ESP

	x	y	z
x	4.906	0.617	0.000
y	0.617	5.062	0.000
z	0.000	0.000	5.056

<r²>	77.165
(<r²>)^1/2	8.784

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)