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	hartrees
Energy at 0K	-30.972162
Energy at 298.15K	-30.980490
Nuclear repulsion energy	70.161463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3530	3379	0.82
2	A	3275	3135	30.85
3	A	3176	3040	9.64
4	A	3106	2973	59.57
5	A	1672	1601	21.71
6	A	1518	1453	22.47
7	A	1394	1335	15.66
8	A	1236	1183	0.00
9	A	1178	1128	14.53
10	A	1047	1002	9.60
11	A	1006	963	16.93
12	A	869	832	122.84
13	A	824	788	36.67
14	A	746	714	4.27
15	A	391	375	6.61
16	A	3624	3468	0.56
17	A	3259	3120	0.00
18	A	3168	3033	24.96
19	A	1428	1367	3.68
20	A	1265	1211	2.12
21	A	1158	1109	0.00
22	A	1102	1055	1.30
23	A	1041	996	2.39
24	A	911	872	15.20
25	A	814	779	2.43
26	A	380	364	11.48
27	A	275	263	38.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.327	0.432	0.000
H2	-1.271	0.995	0.000
N3	0.925	1.166	0.000
C4	-0.327	-0.885	0.764
C5	-0.327	-0.885	-0.764
H6	0.971	1.771	0.821
H7	0.971	1.771	-0.821
H8	-1.241	-1.186	1.282
H9	-1.241	-1.186	-1.282
H10	0.611	-1.150	1.256
H11	0.611	-1.150	-1.256

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0994	1.4512	1.5218	1.5218	2.0377	2.0377	2.2573	2.2573	2.2270	2.2270
H2	1.0994		2.2030	2.2375	2.2375	2.5110	2.5110	2.5296	2.5296	3.1178	3.1178
N3	1.4512	2.2030		2.5207	2.5207	1.0209	1.0209	3.4444	3.4444	2.6529	2.6529
C4	1.5218	2.2375	2.5207		1.5272	2.9565	3.3537	1.0930	2.2607	1.0922	2.2427
C5	1.5218	2.2375	2.5207	1.5272		3.3537	2.9565	2.2607	1.0930	2.2427	1.0922
H6	2.0377	2.5110	1.0209	2.9565	3.3537		1.6414	3.7214	4.2494	2.9751	3.6020
H7	2.0377	2.5110	1.0209	3.3537	2.9565	1.6414		4.2494	3.7214	3.6020	2.9751
H8	2.2573	2.5296	3.4444	1.0930	2.2607	3.7214	4.2494		2.5640	1.8526	3.1422
H9	2.2573	2.5296	3.4444	2.2607	1.0930	4.2494	3.7214	2.5640		3.1422	1.8526
H10	2.2270	3.1178	2.6529	1.0922	2.2427	2.9751	3.6020	1.8526	3.1422		2.5121
H11	2.2270	3.1178	2.6529	2.2427	1.0922	3.6020	2.9751	3.1422	1.8526	2.5121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.807	C1	N3	H7	109.807
C1	C4	C5	59.882	C1	C4	H8	118.449
C1	C4	H10	115.871	C1	C5	C4	59.882
C1	C5	H9	118.449	C1	C5	H11	115.871
H2	C1	N3	118.829	H2	C1	C4	116.287
H2	C1	C5	116.287	N3	C1	C4	115.938
N3	C1	C5	115.938	C4	C1	C5	60.235
C4	C5	H9	118.311	C4	C5	H11	116.798
C5	C4	H8	118.311	C5	C4	H10	116.798
H6	N3	H7	107.009	H8	C4	H10	115.938
H9	C5	H11	115.938

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: B1B95/CEP-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	-0.117
2	H	0.218
3	N	-0.549
4	C	-0.413
5	C	-0.413
6	H	0.264
7	H	0.264
8	H	0.189
9	H	0.189
10	H	0.184
11	H	0.184

	x	y	z	Total
	-0.890	1.172	0.000	1.472
CHELPG
AIM
ESP

	x	y	z
x	5.035	0.503	0.000
y	0.503	5.840	0.000
z	0.000	0.000	5.769

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B1B95/CEP-31G*

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)