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	hartrees
Energy at 0K	-172.676533
Energy at 298.15K	-172.685056
HF Energy	-172.080842
Nuclear repulsion energy	124.971507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3479	3314	1.88
2	A'	3266	3111	19.18
3	A'	3178	3026	6.41
4	A'	3111	2962	47.55
5	A'	1723	1640	18.19
6	A'	1564	1489	14.04
7	A'	1461	1392	16.10
8	A'	1279	1218	0.42
9	A'	1212	1154	9.73
10	A'	1107	1054	14.38
11	A'	1049	999	11.19
12	A'	913	869	134.56
13	A'	846	806	14.65
14	A'	797	759	2.53
15	A'	418	398	7.13
16	A"	3566	3396	0.01
17	A"	3255	3100	0.22
18	A"	3170	3019	17.94
19	A"	1502	1430	1.46
20	A"	1314	1252	1.01
21	A"	1233	1174	0.10
22	A"	1171	1115	0.41
23	A"	1111	1058	1.26
24	A"	941	896	10.18
25	A"	871	830	2.73
26	A"	408	389	10.10
27	A"	290	276	40.25

Atom	x (Å)	y (Å)	z (Å)
C1	-0.312	0.410	0.000
H2	-1.273	0.939	0.000
N3	0.894	1.201	0.000
C4	-0.312	-0.891	0.752
C5	-0.312	-0.891	-0.752
H6	0.931	1.797	0.824
H7	0.931	1.797	-0.824
H8	-1.218	-1.183	1.280
H9	-1.218	-1.183	-1.280
H10	0.603	-1.168	1.269
H11	0.603	-1.168	-1.269

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0970	1.4424	1.5027	1.5027	2.0367	2.0367	2.2357	2.2357	2.2225	2.2225
H2	1.0970		2.1830	2.1996	2.1996	2.5048	2.5048	2.4792	2.4792	3.0940	3.0940
N3	1.4424	2.1830		2.5291	2.5291	1.0177	1.0177	3.4328	3.4328	2.7031	2.7031
C4	1.5027	2.1996	2.5291		1.5045	2.9621	3.3547	1.0886	2.2444	1.0873	2.2361
C5	1.5027	2.1996	2.5291	1.5045		3.3547	2.9621	2.2444	1.0886	2.2361	1.0873
H6	2.0367	2.5048	1.0177	2.9621	3.3547		1.6483	3.7024	4.2342	3.0159	3.6440
H7	2.0367	2.5048	1.0177	3.3547	2.9621	1.6483		4.2342	3.7024	3.6440	3.0159
H8	2.2357	2.4792	3.4328	1.0886	2.2444	3.7024	4.2342		2.5604	1.8218	3.1331
H9	2.2357	2.4792	3.4328	2.2444	1.0886	4.2342	3.7024	2.5604		3.1331	1.8218
H10	2.2225	3.0940	2.7031	1.0873	2.2361	3.0159	3.6440	1.8218	3.1331		2.5377
H11	2.2225	3.0940	2.7031	2.2361	1.0873	3.6440	3.0159	3.1331	1.8218	2.5377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.582	C1	N3	H7	110.582
C1	C4	C5	59.962	C1	C4	H8	118.377
C1	C4	H10	117.301	C1	C5	C4	59.962
C1	C5	H9	118.377	C1	C5	H11	117.301
H2	C1	N3	117.916	H2	C1	C4	114.679
H2	C1	C5	114.679	N3	C1	C4	118.334
N3	C1	C5	118.334	C4	C1	C5	60.077
C4	C5	H9	119.013	C4	C5	H11	118.368
C5	C4	H8	119.013	C5	C4	H10	118.368
H6	N3	H7	108.159	H8	C4	H10	113.699
H9	C5	H11	113.699

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: QCISD/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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All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)