%chk=000247033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247033

0 1
S -0.012842 -2.847383 -0.955576
S -0.622433 2.547772 -0.687543
S -4.339600 -0.800604 1.304720
N 0.817020 0.082833 -1.451972
N -2.128304 -1.631896 0.142888
N -2.400759 0.780573 0.279586
C 2.043626 0.108477 -0.720871
C -0.409761 -0.160085 -0.754642
C 2.079038 0.296951 0.671179
C 3.314542 0.416664 1.322511
C 3.244260 0.021926 -1.461508
C -0.934672 -1.443843 -0.476302
C -1.206144 0.940183 -0.349389
C 4.508576 0.339739 0.588879
C 4.461199 0.144324 -0.794370
C 3.344991 0.622861 2.803286
C -2.810399 -0.503531 0.499724
C -1.056041 -4.254534 -0.540558
C -1.908617 3.635751 -0.046895
C -4.986363 0.847703 1.629460
H 0.860423 -0.391884 -2.360407
H 1.158162 0.356873 1.244157
H 3.224037 -0.124586 -2.536340
H 5.466371 0.430827 1.090838
H 5.390799 0.084277 -1.360858
H 2.815377 1.544319 3.085324
H 2.853114 -0.207774 3.329621
H 4.364336 0.700349 3.201579
H -1.318280 -4.266005 0.528023
H -0.502175 -5.170287 -0.781945
H -1.999751 -4.244299 -1.103352
H -2.062325 3.497451 1.031136
H -2.873274 3.464821 -0.542031
H -1.592560 4.670218 -0.231090
H -5.137105 1.419518 0.703833
H -4.314350 1.433846 2.270760
H -5.952516 0.734256 2.137742


%chk=000247033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247033

0 1
S -0.308489 -3.284164 -1.092670
S -0.237661 2.262520 -0.328364
S -4.590930 -0.773446 1.076715
N 0.943703 -0.537999 -1.155720
N -2.371587 -1.802493 -0.031952
N -2.297916 0.584001 0.367560
C 2.141410 -0.043419 -0.574180
C -0.344213 -0.537720 -0.582030
C 2.221820 0.306550 0.797091
C 3.432172 0.786373 1.354884
C 3.295809 0.073922 -1.396000
C -1.103092 -1.749225 -0.503093
C -1.037365 0.635678 -0.150377
C 4.576859 0.897986 0.526948
C 4.503351 0.534820 -0.838771
C 3.490803 1.163219 2.826014
C -2.906080 -0.627956 0.404848
C -1.750986 -4.480076 -0.926465
C -1.659645 3.385179 0.179049
C -4.923798 1.009732 1.566189
H 1.056163 -1.098902 -2.004896
H 1.341105 0.191135 1.438464
H 3.237957 -0.185991 -2.460076
H 5.519945 1.263664 0.948689
H 5.391865 0.620528 -1.474645
H 2.781434 1.980123 3.057373
H 3.222066 0.306311 3.472144
H 4.500932 1.499913 3.115724
H -2.087121 -4.501960 0.118781
H -1.354617 -5.458314 -1.239676
H -2.576824 -4.159725 -1.576304
H -1.954145 3.170136 1.215107
H -2.515559 3.233610 -0.493358
H -1.261882 4.407968 0.085939
H -4.885989 1.655189 0.677669
H -4.178293 1.340016 2.303127
H -5.933602 1.008619 2.005859


