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	hartrees
Energy at 0K	-173.190281
Energy at 298.15K	-173.198632
Nuclear repulsion energy	124.526931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3543	3409	0.85
2	A	3262	3138	26.51
3	A	3167	3047	7.41
4	A	3062	2946	75.79
5	A	1705	1640	16.29
6	A	1527	1469	11.11
7	A	1439	1384	33.07
8	A	1270	1222	2.22
9	A	1198	1153	3.18
10	A	1092	1051	22.37
11	A	1019	980	0.46
12	A	839	808	3.00
13	A	789	759	5.46
14	A	571	549	261.41
15	A	425	409	10.08
16	A	3656	3518	0.60
17	A	3248	3124	0.14
18	A	3160	3040	21.07
19	A	1501	1444	3.17
20	A	1261	1213	4.90
21	A	1224	1178	0.20
22	A	1157	1113	0.56
23	A	1119	1076	3.44
24	A	900	866	1.93
25	A	863	830	8.14
26	A	410	395	7.13
27	A	271	261	38.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.538	0.000
H2	-0.428	1.546	0.000
N3	1.431	0.409	0.000
C4	-0.796	-0.508	0.759
C5	-0.796	-0.508	-0.759
H6	1.903	0.707	0.845
H7	1.903	0.707	-0.845
H8	-1.694	-0.195	1.282
H9	-1.694	-0.195	-1.282
H10	-0.225	-1.283	1.257
H11	-0.225	-1.283	-1.257

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0945	1.4371	1.5184	1.5184	2.0887	2.0887	2.2480	2.2480	2.2245	2.2245
H2	1.0945		2.1791	2.2204	2.2204	2.6171	2.6171	2.5059	2.5059	3.1021	3.1021
N3	1.4371	2.1791		2.5259	2.5259	1.0124	1.0124	3.4321	3.4321	2.6807	2.6807
C4	1.5184	2.2204	2.5259		1.5181	2.9612	3.3667	1.0852	2.2518	1.0842	2.2345
C5	1.5184	2.2204	2.5259	1.5181		3.3667	2.9612	2.2518	1.0852	2.2345	1.0842
H6	2.0887	2.6171	1.0124	2.9612	3.3667		1.6901	3.7341	4.2753	2.9420	3.5924
H7	2.0887	2.6171	1.0124	3.3667	2.9612	1.6901		4.2753	3.7341	3.5924	2.9420
H8	2.2480	2.5059	3.4321	1.0852	2.2518	3.7341	4.2753		2.5645	1.8283	3.1291
H9	2.2480	2.5059	3.4321	2.2518	1.0852	4.2753	3.7341	2.5645		3.1291	1.8283
H10	2.2245	3.1021	2.6807	1.0842	2.2345	2.9420	3.5924	1.8283	3.1291		2.5147
H11	2.2245	3.1021	2.6807	2.2345	1.0842	3.5924	2.9420	3.1291	1.8283	2.5147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	115.926	C1	N3	H7	115.926
C1	C4	C5	60.007	C1	C4	H8	118.454
C1	C4	H10	116.469	C1	C5	C4	60.007
C1	C5	H9	118.454	C1	C5	H11	116.469
H2	C1	N3	118.179	H2	C1	C4	115.418
H2	C1	C5	115.418	N3	C1	C4	117.413
N3	C1	C5	117.413	C4	C1	C5	59.985
C4	C5	H9	118.824	C4	C5	H11	117.363
C5	C4	H8	118.824	C5	C4	H10	117.363
H6	N3	H7	113.166	H8	C4	H10	114.869
H9	C5	H11	114.869

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: B3LYP/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	C	-0.008
2	H	0.118
3	N	-0.705
4	C	-0.269
5	C	-0.269
6	H	0.283
7	H	0.283
8	H	0.134
9	H	0.134
10	H	0.150
11	H	0.150

	x	y	z	Total
	0.265	1.140	0.000	1.170
CHELPG
AIM
ESP

	x	y	z
x	5.907	0.244	0.000
y	0.244	4.713	0.000
z	0.000	0.000	5.354

<r²>	78.123
(<r²>)^1/2	8.839

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)