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	hartrees
Energy at 0K	-173.101084
Energy at 298.15K	-173.109435
Nuclear repulsion energy	125.152208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3587	3421	0.19
2	A	3291	3138	21.64
3	A	3191	3043	6.19
4	A	3091	2947	71.08
5	A	1706	1627	19.79
6	A	1528	1457	15.87
7	A	1446	1379	28.66
8	A	1286	1227	1.09
9	A	1209	1153	3.52
10	A	1095	1045	25.22
11	A	1039	991	1.42
12	A	852	812	4.95
13	A	799	762	3.90
14	A	549	524	276.22
15	A	421	402	11.11
16	A	3706	3535	2.38
17	A	3276	3125	0.15
18	A	3183	3036	18.31
19	A	1495	1426	4.63
20	A	1261	1203	5.81
21	A	1223	1166	0.31
22	A	1156	1103	0.77
23	A	1120	1068	4.26
24	A	913	871	4.50
25	A	873	833	5.11
26	A	411	392	6.35
27	A	270	258	37.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.326	0.428	0.000
H2	-1.274	0.972	0.000
N3	0.888	1.182	0.000
C4	-0.326	-0.880	0.754
C5	-0.326	-0.880	-0.754
H6	1.097	1.693	0.844
H7	1.097	1.693	-0.844
H8	-1.228	-1.176	1.277
H9	-1.228	-1.176	-1.277
H10	0.598	-1.146	1.251
H11	0.598	-1.146	-1.251

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0923	1.4288	1.5103	1.5103	2.0829	2.0829	2.2397	2.2397	2.2129	2.2129
H2	1.0923		2.1719	2.2125	2.2125	2.6186	2.6186	2.4986	2.4986	3.0905	3.0905
N3	1.4288	2.1719		2.5088	2.5088	1.0089	1.0089	3.4153	3.4153	2.6583	2.6583
C4	1.5103	2.2125	2.5088		1.5086	2.9418	3.3469	1.0832	2.2418	1.0823	2.2240
C5	1.5103	2.2125	2.5088	1.5086		3.3469	2.9418	2.2418	1.0832	2.2240	1.0823
H6	2.0829	2.6186	1.0089	2.9418	3.3469		1.6888	3.7178	4.2585	2.9105	3.5632
H7	2.0829	2.6186	1.0089	3.3469	2.9418	1.6888		4.2585	3.7178	3.5632	2.9105
H8	2.2397	2.4986	3.4153	1.0832	2.2418	3.7178	4.2585		2.5536	1.8262	3.1184
H9	2.2397	2.4986	3.4153	2.2418	1.0832	4.2585	3.7178	2.5536		3.1184	1.8262
H10	2.2129	3.0905	2.6583	1.0823	2.2240	2.9105	3.5632	1.8262	3.1184		2.5021
H11	2.2129	3.0905	2.6583	2.2240	1.0823	3.5632	2.9105	3.1184	1.8262	2.5021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	116.338	C1	N3	H7	116.338
C1	C4	C5	60.037	C1	C4	H8	118.517
C1	C4	H10	116.220	C1	C5	C4	60.037
C1	C5	H9	118.517	C1	C5	H11	116.220
H2	C1	N3	118.357	H2	C1	C4	115.516
H2	C1	C5	115.516	N3	C1	C4	117.185
N3	C1	C5	117.185	C4	C1	C5	59.925
C4	C5	H9	118.842	C4	C5	H11	117.322
C5	C4	H8	118.842	C5	C4	H10	117.322
H6	N3	H7	113.629	H8	C4	H10	114.981
H9	C5	H11	114.981

All results from a given calculation for C₃H₇N (Cyclopropylamine)

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	C	-0.051
2	H	0.145
3	N	-0.732
4	C	-0.310
5	C	-0.310
6	H	0.299
7	H	0.299
8	H	0.157
9	H	0.157
10	H	0.173
11	H	0.173

	x	y	z	Total
	-0.433	1.057	0.000	1.142
CHELPG
AIM
ESP

	x	y	z
x	5.210	0.624	0.000
y	0.624	5.312	0.000
z	0.000	0.000	5.303

<r²>	77.296
(<r²>)^1/2	8.792

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)