%chk=000218718.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218718

0 1
O 1.515620 0.899675 0.393145
O -3.034792 2.505902 1.066457
N -2.362575 -1.013372 0.978589
N -0.999788 1.423351 0.977405
C 2.011149 -1.806422 -1.019560
C 2.093576 -3.325866 -0.827740
C 2.762317 -1.061738 0.090034
C 1.452057 -4.078624 -2.001928
C 2.800240 0.446782 -0.138454
C -3.057697 0.165861 1.573729
C -2.642230 -2.266181 1.755372
C -2.719513 -1.165219 -0.473501
C 1.512698 -5.591325 -1.802716
C 1.188918 2.232971 0.245717
C -2.381398 1.478945 1.164442
C -0.176743 2.515356 0.570711
C -1.894307 -2.237881 3.088313
C -1.652688 -2.000998 -1.179103
C 2.061053 3.241908 -0.150270
C -0.621599 3.836615 0.484143
C 1.584110 4.560575 -0.229522
C 0.260404 4.851967 0.083938
H 2.416631 -1.526105 -2.010135
H 0.941782 -1.481584 -1.023542
H 1.597098 -3.612962 0.119397
H 3.149924 -3.639389 -0.719389
H 2.277300 -1.264604 1.070071
H 3.798715 -1.442919 0.178194
H 1.961855 -3.806128 -2.946988
H 0.398478 -3.760048 -2.125300
H 2.863570 0.730020 -1.202002
H 3.600304 0.938692 0.441045
H -4.137229 0.241358 1.309525
H -3.019009 0.105010 2.687788
H -3.727645 -2.433395 1.925792
H -2.277979 -3.128590 1.150814
H -3.724725 -1.614014 -0.624789
H -2.754128 -0.152792 -0.937410
H 0.984986 -5.901400 -0.893746
H 2.546123 -5.946556 -1.717745
H 1.053580 -6.120475 -2.645409
H -0.532473 0.499916 1.019278
H -1.954787 -3.208044 3.592682
H -2.295314 -1.481051 3.772458
H -0.831505 -2.002882 2.938444
H -0.637487 -1.603530 -0.981130
H -1.654604 -3.043462 -0.841152
H -1.806343 -1.995865 -2.263143
H 3.097069 3.031007 -0.392640
H -1.665163 4.078205 0.722850
H 2.262459 5.353690 -0.538656
H -0.105890 5.875214 0.020937


%chk=000218718-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218718

0 1
O 1.326018 0.871046 0.152969
O -3.139277 2.498726 1.637235
N -2.357165 -0.960366 0.674385
N -1.168704 1.461765 0.839844
C 2.025508 -1.901171 -0.805270
C 2.131382 -3.410694 -0.492777
C 2.834208 -1.031175 0.181196
C 1.352788 -4.297983 -1.490758
C 2.729192 0.474060 -0.076562
C -3.010971 0.042770 1.551137
C -2.259319 -2.316137 1.287249
C -2.974170 -0.961597 -0.687670
C 1.446126 -5.803016 -1.159177
C 1.025564 2.247940 0.178374
C -2.458850 1.470741 1.334869
C -0.317232 2.556149 0.565611
C -1.164333 -2.402667 2.366889
C -2.050638 -1.525449 -1.781460
C 1.936480 3.277195 -0.134941
C -0.716272 3.912076 0.651831
C 1.521402 4.628523 -0.052574
C 0.203894 4.940410 0.343374
H 2.381774 -1.712755 -1.839893
H 0.963993 -1.589840 -0.774140
H 1.753020 -3.599061 0.534475
H 3.199058 -3.716681 -0.490878
H 2.503513 -1.233384 1.219226
H 3.907549 -1.307409 0.128099
H 1.738345 -4.118975 -2.515192
H 0.288461 -3.984291 -1.502368
H 3.013783 0.725559 -1.119930
H 3.382374 1.039170 0.619259
H -4.113896 0.095078 1.418194
H -2.827349 -0.218123 2.610113
H -3.241512 -2.638134 1.711847
H -2.016642 -3.030592 0.480430
H -3.944831 -1.515419 -0.680973
H -3.212281 0.089225 -0.937155
H 1.036931 -6.013693 -0.152883
H 2.497815 -6.146455 -1.170688
H 0.883551 -6.414919 -1.888051
H -0.817856 0.508433 0.640300
H -1.107811 -3.428732 2.775305
H -1.358757 -1.718569 3.213053
H -0.182698 -2.138009 1.935123
H -1.114371 -0.942264 -1.830866
H -1.788087 -2.584637 -1.606494
H -2.551632 -1.466200 -2.765173
H 2.959515 3.042584 -0.442726
H -1.738114 4.134946 0.966055
H 2.231141 5.426304 -0.296431
H -0.116213 5.985293 0.413887


