%chk=000237022.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237022

0 1
S -1.075527 1.071855 -0.000315
S 1.760691 2.147661 -0.000415
N 1.193256 -0.423653 -0.000006
N 4.413221 1.353601 -0.000334
N 4.914731 -1.033719 0.000164
N 3.223569 -2.681573 0.000574
C -1.815762 -0.595363 -0.000015
C -3.285151 -0.336102 0.000005
C 2.597898 -0.302776 -0.000018
C 3.103721 1.027363 -0.000288
C 0.628526 0.755602 -0.000319
C 3.567019 -1.356088 0.000280
C -3.980068 -0.213650 -1.214282
C -3.979926 -0.213039 1.214312
C -5.356597 0.025381 -1.210450
C -5.356455 0.025991 1.210521
C -6.046967 0.144728 0.000046
C 5.267475 0.282094 -0.000361
H -1.475966 -1.169882 0.885044
H -1.476035 -1.170165 -0.884917
H -3.447591 -0.300573 -2.160459
H -3.447338 -0.299490 2.160470
H -5.892361 0.120357 -2.153997
H -5.892108 0.121443 2.154082
H -7.119413 0.330971 0.000062
H 6.348602 0.503842 0.000188
H 2.254031 -2.956822 0.000588
H 3.933425 -3.397395 0.000737


%chk=000237022-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237022

0 1
S -1.011291 1.401637 -0.000420
S 1.973286 2.341964 -0.001680
N 1.221067 -0.261459 -0.000499
N 4.587693 1.246656 0.000647
N 4.857950 -1.188045 0.000417
N 3.001822 -2.648774 -0.000731
C -1.763105 -0.377666 0.000539
C -3.265803 -0.272190 0.000332
C 2.622837 -0.237626 -0.000302
C 3.251586 1.034598 0.000100
C 0.728851 0.966707 -0.000113
C 3.496488 -1.371728 -0.000371
C -3.985034 -0.223393 -1.222377
C -3.985252 -0.221818 1.222847
C -5.394215 -0.131733 -1.223477
C -5.394432 -0.130159 1.223577
C -6.102643 -0.085186 -0.000043
C 5.324803 0.093283 0.001794
H -1.359662 -0.868566 0.898879
H -1.359498 -0.869609 -0.897158
H -3.437768 -0.256689 -2.172129
H -3.438155 -0.253888 2.172739
H -5.938170 -0.097670 -2.173767
H -5.938558 -0.094875 2.173725
H -7.195993 -0.015058 -0.000186
H 6.411729 0.213080 0.000219
H 1.995891 -2.801530 -0.001053
H 3.654476 -3.429664 -0.000611


