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	hartrees
Energy at 0K	-173.141740
Energy at 298.15K	-173.150040
HF Energy	-173.141740
Nuclear repulsion energy	123.869653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3325	3298	10.14
2	A'	3157	3132	27.00
3	A'	3071	3046	8.82
4	A'	2970	2946	70.73
5	A'	1650	1637	8.62
6	A'	1481	1469	9.81
7	A'	1384	1373	25.52
8	A'	1210	1200	1.05
9	A'	1145	1136	6.61
10	A'	1023	1015	14.56
11	A'	992	984	10.52
12	A'	842	835	117.36
13	A'	798	792	14.05
14	A'	749	743	2.64
15	A'	399	395	6.29
16	A"	3404	3377	2.48
17	A"	3145	3119	0.18
18	A"	3067	3042	26.04
19	A"	1443	1432	0.70
20	A"	1254	1243	0.81
21	A"	1176	1166	0.03
22	A"	1101	1092	0.25
23	A"	1038	1029	1.47
24	A"	867	860	6.50
25	A"	819	813	2.91
26	A"	386	383	8.99
27	A"	271	269	36.68

Atom	x (Å)	y (Å)	z (Å)
C1	-0.313	0.414	0.000
H2	-1.284	0.944	0.000
N3	0.896	1.217	0.000
C4	-0.313	-0.901	0.757
C5	-0.313	-0.901	-0.757
H6	0.938	1.817	0.829
H7	0.938	1.817	-0.829
H8	-1.224	-1.194	1.291
H9	-1.224	-1.194	-1.291
H10	0.607	-1.186	1.278
H11	0.607	-1.186	-1.278

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1067	1.4509	1.5179	1.5179	2.0536	2.0536	2.2544	2.2544	2.2449	2.2449
H2	1.1067		2.1969	2.2190	2.2190	2.5265	2.5265	2.4987	2.4987	3.1222	3.1222
N3	1.4509	2.1969		2.5536	2.5536	1.0240	1.0240	3.4600	3.4600	2.7370	2.7370
C4	1.5179	2.2190	2.5536		1.5147	2.9927	3.3863	1.0955	2.2606	1.0943	2.2513
C5	1.5179	2.2190	2.5536	1.5147		3.3863	2.9927	2.2606	1.0955	2.2513	1.0943
H6	2.0536	2.5265	1.0240	2.9927	3.3863		1.6578	3.7348	4.2695	3.0543	3.6832
H7	2.0536	2.5265	1.0240	3.3863	2.9927	1.6578		4.2695	3.7348	3.6832	3.0543
H8	2.2544	2.4987	3.4600	1.0955	2.2606	3.7348	4.2695		2.5816	1.8305	3.1541
H9	2.2544	2.4987	3.4600	2.2606	1.0955	4.2695	3.7348	2.5816		3.1541	1.8305
H10	2.2449	3.1222	2.7370	1.0943	2.2513	3.0543	3.6832	1.8305	3.1541		2.5557
H11	2.2449	3.1222	2.7370	2.2513	1.0943	3.6832	3.0543	3.1541	1.8305	2.5557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.973	C1	N3	H7	110.973
C1	C4	C5	60.071	C1	C4	H8	118.331
C1	C4	H10	117.578	C1	C5	C4	60.071
C1	C5	H9	118.331	C1	C5	H11	117.578
H2	C1	N3	117.775	H2	C1	C4	114.539
H2	C1	C5	114.539	N3	C1	C4	118.651
N3	C1	C5	118.651	C4	C1	C5	59.859
C4	C5	H9	119.141	C4	C5	H11	118.401
C5	C4	H8	119.141	C5	C4	H10	118.401
H6	N3	H7	108.083	H8	C4	H10	113.420
H9	C5	H11	113.420

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: BLYP/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	0.019
2	H	0.101
3	N	-0.670
4	C	-0.270
5	C	-0.270
6	H	0.278
7	H	0.278
8	H	0.126
9	H	0.126
10	H	0.140
11	H	0.140

	x	y	z	Total
	-0.789	1.100	0.000	1.353
CHELPG
AIM
ESP

	x	y	z
x	5.436	0.615	0.000
y	0.615	5.893	0.000
z	0.000	0.000	5.606

<r²>	78.731
(<r²>)^1/2	8.873

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)