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	hartrees
Energy at 0K	-212.518761
Energy at 298.15K	-212.529880
HF Energy	-212.518761
Nuclear repulsion energy	187.282415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3552	3382	0.49
2	A'	3173	3022	51.68
3	A'	3143	2994	23.50
4	A'	3109	2960	40.73
5	A'	3091	2943	23.34
6	A'	3012	2869	91.10
7	A'	1671	1591	36.10
8	A'	1514	1442	5.47
9	A'	1480	1410	3.74
10	A'	1408	1341	29.68
11	A'	1307	1245	8.55
12	A'	1255	1195	1.45
13	A'	1178	1122	8.22
14	A'	1096	1043	7.66
15	A'	975	929	2.47
16	A'	903	860	3.47
17	A'	868	827	70.14
18	A'	810	771	85.17
19	A'	677	645	2.98
20	A'	407	388	5.66
21	A'	147	140	1.21
22	A"	3647	3473	1.66
23	A"	3148	2998	9.54
24	A"	3087	2940	83.06
25	A"	1471	1400	3.63
26	A"	1355	1290	0.06
27	A"	1287	1225	1.31
28	A"	1274	1213	0.32
29	A"	1233	1174	1.01
30	A"	1176	1120	0.39
31	A"	1042	993	0.04
32	A"	963	917	0.77
33	A"	936	892	2.58
34	A"	773	737	0.66
35	A"	393	374	9.03
36	A"	277	264	34.77

Atom	x (Å)	y (Å)	z (Å)
N1	-1.410	0.910	0.000
H2	-1.720	1.430	0.817
H3	-1.720	1.430	-0.817
C4	0.494	-0.238	-1.079
H5	-0.166	-0.360	-1.944
H6	1.507	-0.020	-1.431
C7	0.494	-0.238	1.079
H8	-0.166	-0.360	1.944
H9	1.507	-0.020	1.431
C10	0.046	0.778	0.000
H11	0.569	1.746	0.000
C12	0.494	-1.347	0.000
H13	1.326	-2.056	0.000
H14	-0.448	-1.897	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0164	1.0164	2.4714	2.6338	3.3794	2.4714	2.6338	3.3794	1.4620	2.1475	2.9527	4.0355	2.9674
H2	1.0164		1.6330	3.3584	3.6381	4.1915	2.7846	2.6246	3.5907	2.0524	2.4503	3.6441	4.7012	3.6543
H3	1.0164	1.6330		2.7846	2.6246	3.5907	3.3584	3.6381	4.1915	2.0524	2.4503	3.6441	4.7012	3.6543
C4	2.4714	3.3584	2.7846		1.0945	1.0939	2.1587	3.0966	2.7159	1.5482	2.2598	1.5475	2.2725	2.1920
H5	2.6338	3.6381	2.6246	1.0945		1.7824	3.0966	3.8870	3.7821	2.2620	2.9585	2.2775	2.9803	2.4937
H6	3.3794	4.1915	3.5907	1.0939	1.7824		2.7159	3.7821	2.8627	2.1950	2.4595	2.1987	2.4956	3.0646
C7	2.4714	2.7846	3.3584	2.1587	3.0966	2.7159		1.0945	1.0939	1.5482	2.2598	1.5475	2.2725	2.1920
H8	2.6338	2.6246	3.6381	3.0966	3.8870	3.7821	1.0945		1.7824	2.2620	2.9585	2.2775	2.9803	2.4937
H9	3.3794	3.5907	4.1915	2.7159	3.7821	2.8627	1.0939	1.7824		2.1950	2.4595	2.1987	2.4956	3.0646
C10	1.4620	2.0524	2.0524	1.5482	2.2620	2.1950	1.5482	2.2620	2.1950		1.1002	2.1711	3.1097	2.7199
H11	2.1475	2.4503	2.4503	2.2598	2.9585	2.4595	2.2598	2.9585	2.4595	1.1002		3.0938	3.8773	3.7822
C12	2.9527	3.6441	3.6441	1.5475	2.2775	2.1987	1.5475	2.2775	2.1987	2.1711	3.0938		1.0935	1.0909
H13	4.0355	4.7012	4.7012	2.2725	2.9803	2.4956	2.2725	2.9803	2.4956	3.1097	3.8773	1.0935		1.7810
H14	2.9674	3.6543	3.6543	2.1920	2.4937	3.0646	2.1920	2.4937	3.0646	2.7199	3.7822	1.0909	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.338	N1	C10	C7	110.338
N1	C10	H11	113.127	H2	N1	H3	106.893
H2	N1	C10	110.517	H3	N1	C10	110.517
C4	C10	C7	88.402	C4	C10	H11	116.111
C4	C12	C7	88.454	C4	C12	H13	117.713
C4	C12	H14	111.190	H5	C4	H6	109.073
H5	C4	C10	116.685	H5	C4	C12	118.080
H6	C4	C10	111.195	H6	C4	C12	111.536
C7	C10	H11	116.111	C7	C12	H13	117.713
C7	C12	H14	111.190	H8	C7	H9	109.073
H8	C7	C10	116.685	H8	C7	C12	118.080
H9	C7	C10	111.195	H9	C7	C12	111.536
C10	C4	C12	89.069	C10	C7	C12	89.069
H13	C12	H14	109.243

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: wB97X-D/6-31+G**

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	N	-0.645
2	H	0.291
3	H	0.291
4	C	-0.460
5	H	0.149
6	H	0.151
7	C	-0.460
8	H	0.149
9	H	0.151
10	C	0.039
11	H	0.124
12	C	-0.094
13	H	0.144
14	H	0.169

	x	y	z	Total
	0.386	1.259	0.000	1.317
CHELPG
AIM
ESP

	x	y	z
x	7.835	-0.364	0.000
y	-0.364	7.947	0.000
z	0.000	0.000	7.875

<r²>	113.982
(<r²>)^1/2	10.676

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)