%chk=000270472.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270472

0 1
O 0.532818 -0.882593 -0.067958
O 0.427068 0.968965 -1.401753
O -1.854308 2.990679 1.888671
O 0.053236 1.864496 1.580039
O -2.799461 -2.631109 -2.252190
O -0.928803 -1.569425 -2.484002
N -2.017484 -1.738870 -1.971553
C 4.136972 0.213047 0.526939
C 2.644129 -0.052084 0.796766
C 4.392362 0.829057 -0.866342
C 4.989261 -1.065188 0.688801
C 1.996900 -0.975527 -0.223613
C 3.608318 2.115627 -1.105523
C 5.026476 -1.571603 2.128353
C -0.097230 0.150265 -0.690758
C -1.560165 0.107414 -0.304101
C -2.046561 0.988013 0.677615
C -2.457150 -0.776754 -0.922435
C -3.411134 0.986310 1.016183
C -3.819231 -0.788124 -0.572137
C -4.291801 0.098346 0.394233
C -1.136438 1.926672 1.386981
H 4.475197 0.955551 1.294542
H 2.094931 0.918279 0.814800
H 2.515662 -0.463906 1.817250
H 5.475996 1.034090 -0.975075
H 4.146555 0.095653 -1.659100
H 6.024518 -0.859425 0.349903
H 4.612523 -1.861715 0.020149
H 2.153735 -2.048971 -0.020834
H 2.256101 -0.727375 -1.268626
H 3.914679 2.597702 -2.040076
H 3.750126 2.839150 -0.296512
H 2.526520 1.920161 -1.186896
H 5.659560 -2.461561 2.217599
H 5.426259 -0.814447 2.812589
H 4.027022 -1.842725 2.488559
H -3.777690 1.692035 1.772641
H -4.497598 -1.499170 -1.063922
H -5.350328 0.098166 0.664587
H -1.270741 3.646192 2.365506


%chk=000270472-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270472

0 1
O 0.536324 -0.778069 0.118409
O 0.280993 1.033380 -1.348144
O -2.115927 2.799484 2.307433
O -0.113082 1.920200 1.537949
O -2.835173 -2.661733 -2.329682
O -0.806844 -1.629443 -2.296937
N -2.022952 -1.758566 -1.893836
C 4.282617 0.249016 0.455421
C 2.753992 0.178074 0.738350
C 4.615196 0.776445 -0.972081
C 5.023159 -1.094638 0.710644
C 2.012554 -0.819827 -0.161188
C 3.950718 2.122561 -1.338374
C 4.876917 -1.655461 2.142179
C -0.179847 0.181424 -0.558565
C -1.657638 0.089942 -0.206194
C -2.235431 0.971035 0.755948
C -2.536249 -0.803145 -0.869077
C -3.630380 0.947815 1.011726
C -3.923927 -0.842830 -0.610050
C -4.472497 0.045625 0.332021
C -1.363501 1.904441 1.532828
H 4.688998 0.990670 1.178494
H 2.309564 1.177636 0.597191
H 2.578789 -0.093299 1.795802
H 5.717243 0.880953 -1.044630
H 4.335884 0.012752 -1.727482
H 6.099599 -0.935833 0.495989
H 4.680647 -1.854571 -0.021949
H 2.276906 -1.867395 0.051449
H 2.156936 -0.599841 -1.232943
H 4.330704 2.495020 -2.307775
H 4.168408 2.893296 -0.573961
H 2.853210 2.029834 -1.425879
H 5.501098 -2.557754 2.278791
H 5.194622 -0.908743 2.894664
H 3.832788 -1.937229 2.370946
H -4.034050 1.642131 1.752350
H -4.538170 -1.565265 -1.153401
H -5.546835 0.032448 0.536723
H -1.494561 3.394756 2.806136


