%chk=000188772.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188772

0 1
O 5.937729 0.894744 -0.265822
O 4.854640 -1.057386 0.375900
O 4.075433 3.476737 0.156387
O 0.759456 1.152470 0.552638
O 4.846961 0.992580 -2.304108
O 0.749625 -3.465584 -0.569659
O -1.034707 2.407048 0.729542
O -4.832658 -0.106977 -2.244818
O -6.971088 2.317995 0.262172
O -7.074241 -0.220512 1.257347
N -3.671382 0.801309 0.167478
C 3.769236 1.107972 0.772364
C 5.142063 0.359504 0.762829
C 3.899033 2.166566 -0.348951
C 2.806766 0.017038 0.433856
C 5.157217 1.735701 -1.164526
C 3.508364 -1.190471 0.209884
C 1.412865 0.012933 0.330587
C 0.725874 -1.202431 -0.018395
C -0.690977 -1.125116 -0.109410
C -1.624772 -2.248116 -0.457110
C -1.376500 0.051914 0.127685
C 2.897938 -2.396999 -0.139397
C 1.504520 -2.378977 -0.244659
C -3.028433 -1.611898 -0.441827
C -2.834472 -0.154123 -0.032171
C -0.747273 1.283650 0.475448
C -5.134527 0.724236 0.079311
C -5.715170 -0.075535 -1.120550
C -5.563355 2.218601 -0.036446
C -5.692640 0.110975 1.396856
C 1.425129 -4.728208 -0.832103
H 3.528740 1.588970 1.745202
H 5.762483 0.270592 1.664523
H 2.983030 2.258026 -0.977786
H 5.836976 2.542790 -1.499127
H -1.372849 -2.687453 -1.444404
H -1.529775 -3.085258 0.263489
H 3.499974 -3.283360 -0.303009
H -3.713647 -2.137658 0.243068
H -3.501848 -1.649209 -1.450070
H 4.828523 3.528532 0.784154
H 4.435733 0.125361 -2.082410
H -6.690802 0.344566 -1.432675
H -5.857483 -1.146368 -0.879686
H -5.469145 2.591696 -1.071514
H -4.975354 2.867271 0.635710
H -5.562915 0.801222 2.248925
H -5.219081 -0.857510 1.640243
H 0.577289 -5.387460 -1.062356
H 1.956520 -5.064011 0.063728
H 2.092453 -4.626327 -1.693586
H -4.591514 0.801264 -2.523142
H -7.098979 2.745795 1.133467
H -7.576980 0.566588 0.907124


%chk=000188772-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188772

0 1
O 5.879685 0.992671 -0.454800
O 4.951018 -1.089637 0.426111
O 4.472289 3.467921 0.501629
O 0.798449 1.135016 0.569400
O 4.216496 0.970803 -2.270468
O 0.837387 -3.600285 -0.567360
O -1.134625 2.389073 0.753945
O -4.940094 0.071913 -2.357642
O -7.045211 2.263994 0.104312
O -7.122910 -0.116886 1.392539
N -3.660044 0.814514 0.190871
C 3.821498 1.076991 0.839267
C 5.222205 0.379413 0.678862
C 3.908314 2.284064 -0.145513
C 2.867053 -0.029366 0.435247
C 4.851911 1.755483 -1.256934
C 3.577184 -1.228033 0.224752
C 1.465966 -0.053724 0.327439
C 0.767899 -1.260722 -0.025266
C -0.668406 -1.173028 -0.124387
C -1.641784 -2.281305 -0.488547
C -1.355603 0.019604 0.126853
C 2.963919 -2.447786 -0.119169
C 1.557199 -2.451643 -0.240291
C -3.037034 -1.604982 -0.517663
C -2.820175 -0.155292 -0.040450
C -0.698198 1.262677 0.498731
C -5.132706 0.711445 0.088333
C -5.713992 -0.093439 -1.115753
C -5.566809 2.200655 0.001390
C -5.679127 0.096154 1.424391
C 1.584822 -4.845274 -0.797838
H 3.629801 1.455420 1.856558
H 5.921514 0.394147 1.525145
H 2.924868 2.600068 -0.519717
H 5.421877 2.530997 -1.784355
H -1.367809 -2.740550 -1.453922
H -1.578812 -3.097899 0.253524
H 3.573211 -3.338990 -0.273606
H -3.764563 -2.134648 0.121835
H -3.454684 -1.569974 -1.540069
H 5.424358 3.291571 0.722854
H 3.548907 0.352675 -1.870085
H -6.768475 0.205038 -1.265849
H -5.695930 -1.174256 -0.913469
H -5.229231 2.646672 -0.957769
H -5.083456 2.749061 0.830850
H -5.375973 0.756541 2.264901
H -5.230866 -0.899833 1.586601
H 0.817478 -5.595056 -1.037164
H 2.137689 -5.148656 0.110652
H 2.283243 -4.736136 -1.648277
H -4.972551 1.019047 -2.642211
H -7.343494 3.203537 0.155659
H -7.521677 0.747934 1.086122


