%chk=000193431.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193431

0 1
O -0.495334 -2.389893 -0.811685
O 3.292481 -0.696535 -1.493666
O -5.040669 -0.489272 2.558305
O 5.112362 0.591675 -0.086474
O 5.914146 -1.691938 1.097408
C -0.566284 1.151740 -0.429837
C 0.693093 1.275175 0.440092
C -1.251852 -0.203818 -0.090572
C 1.716272 0.143701 0.112717
C -2.564239 -0.397590 -0.910736
C -3.519918 0.816595 -0.666526
C 2.940518 0.585527 0.966084
C -1.525674 2.327710 -0.182598
C 1.533211 2.561329 0.373472
C 1.083702 -1.198642 0.485031
C -2.823065 2.154699 -0.977956
C -0.262518 -1.361215 -0.218650
C 2.936759 2.134428 0.861115
C -3.298118 -1.699260 -0.491384
C -4.086877 0.845284 0.765450
C 2.108404 0.122231 -1.389230
C -2.244258 -0.509083 -2.413080
C -3.830340 -1.677173 0.938966
C -4.763760 -0.479711 1.138866
C 4.253729 -0.027994 0.510678
C 4.515879 -1.478890 0.910339
H -0.292070 1.153592 -1.512166
H 0.373987 1.151125 1.508513
H -1.555670 -0.178555 0.991615
H -4.381098 0.704057 -1.371612
H 2.772183 0.294157 2.030330
H -1.035325 3.277926 -0.467486
H -1.753617 2.418264 0.897305
H 1.109289 3.356734 1.007286
H 1.574364 2.973411 -0.648490
H 0.946357 -1.303672 1.576423
H 1.750496 -2.038094 0.186299
H -3.508877 2.996010 -0.762457
H -2.611800 2.215797 -2.063490
H 3.723611 2.476177 0.160083
H 3.180285 2.587862 1.835231
H -2.618337 -2.569487 -0.623962
H -4.133592 -1.884572 -1.194413
H -3.279829 1.054591 1.496304
H -4.801154 1.681903 0.867232
H 2.311395 1.132317 -1.777952
H 1.346527 -0.376229 -2.016625
H -1.690701 0.358480 -2.783607
H -1.632920 -1.401882 -2.613366
H -3.151792 -0.601646 -3.017349
H -4.369651 -2.616651 1.169773
H -3.006250 -1.632672 1.677819
H -5.726654 -0.612582 0.600571
H 3.985481 -0.227476 -2.015028
H 4.144972 -2.161194 0.113704
H 4.072560 -1.767629 1.879275
H -5.671569 0.211487 2.794575
H 6.422649 -1.197930 0.402836


%chk=000193431-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193431

0 1
O -0.451895 -2.365368 -1.190922
O 3.143190 -0.937642 -1.825908
O -5.068489 -0.664272 2.675728
O 5.140339 0.348504 -0.152909
O 5.932621 -1.862366 1.146517
C -0.563348 1.181693 -0.526690
C 0.741721 1.273679 0.292014
C -1.246031 -0.214151 -0.249742
C 1.767500 0.142464 -0.034497
C -2.631720 -0.380351 -0.971589
C -3.558113 0.830826 -0.571707
C 2.946490 0.581007 0.928643
C -1.524333 2.344270 -0.177784
C 1.581655 2.573902 0.242635
C 1.119481 -1.229785 0.268243
C -2.895519 2.198814 -0.872706
C -0.229472 -1.358434 -0.468483
C 2.987605 2.141855 0.780418
C -3.360450 -1.701992 -0.555417
C -4.037850 0.762427 0.906918
C 2.221856 0.166157 -1.525155
C -2.455710 -0.417576 -2.515907
C -3.818528 -1.755270 0.918534
C -4.734374 -0.570577 1.239319
C 4.286258 -0.084210 0.684499
C 4.643410 -1.320616 1.504787
H -0.325349 1.255023 -1.607207
H 0.451495 1.120136 1.357991
H -1.429149 -0.222635 0.849759
H -4.464938 0.742277 -1.210056
H 2.616654 0.306269 1.951774
H -1.057256 3.303921 -0.472386
H -1.657238 2.384950 0.923129
H 1.136665 3.375695 0.856093
H 1.653763 2.961240 -0.791120
H 0.934504 -1.320142 1.359367
H 1.759043 -2.065482 -0.062492
H -3.568487 3.016448 -0.545540
H -2.766111 2.319290 -1.965796
H 3.796042 2.426262 0.085198
H 3.215306 2.610473 1.753773
H -2.715376 -2.564780 -0.789092
H -4.256386 -1.794995 -1.205555
H -3.195259 0.884186 1.614725
H -4.731779 1.609705 1.092360
H 2.675353 1.141257 -1.786385
H 1.350085 0.000898 -2.181815
H -1.888475 0.444834 -2.908424
H -1.929070 -1.337737 -2.818552
H -3.447213 -0.410533 -3.007831
H -4.356051 -2.700997 1.115218
H -2.957392 -1.731399 1.614885
H -5.664872 -0.652199 0.630968
H 4.074924 -0.606840 -1.776568
H 3.853098 -2.086014 1.353612
H 4.632575 -1.040015 2.580973
H -5.670997 0.086468 2.912633
H 6.316499 -1.255853 0.450823


