%chk=000259035.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259035

0 1
O 0.370009 -1.170539 -0.674676
O 4.516770 0.946572 -0.547262
O 3.453382 -2.048890 0.412478
O -7.391800 -0.276819 -0.193161
O 5.273521 2.919644 0.329546
O 5.688259 -1.778338 0.112882
C -1.063821 -1.314532 -0.277525
C -1.768233 0.018647 -0.163196
C -1.098262 1.188548 -0.065756
C 0.367142 1.194654 -0.113601
C 1.035215 -0.018544 -0.423195
C -1.006529 -2.041944 1.063515
C -1.581567 -2.186401 -1.416027
C -1.817543 2.506501 0.074285
C -3.242710 -0.061677 -0.127491
C 2.441106 -0.096671 -0.548609
C 1.148098 2.339680 0.102494
C 3.155791 1.099821 -0.347631
C 2.536326 2.308410 -0.012950
C -1.976887 2.893114 1.543987
C 3.125555 -1.384948 -0.859758
C -3.910531 -0.255310 1.087707
C -3.983812 0.060210 -1.321076
C -5.306990 -0.337290 1.132504
C -5.369825 -0.017205 -1.301471
C -6.020310 -0.217709 -0.064653
C 5.517432 1.850329 -0.156115
C 4.760445 -2.143153 0.802297
C 6.802719 1.181243 -0.470826
C -8.175499 -0.473027 1.007676
C 4.815070 -2.777261 2.151422
H -0.307123 -2.887690 1.018862
H -1.989426 -2.429007 1.352096
H -0.653496 -1.379619 1.863396
H -2.607713 -2.523397 -1.226623
H -1.575904 -1.641231 -2.368257
H -0.949968 -3.074151 -1.550922
H -2.819402 2.452205 -0.405211
H -1.280507 3.303668 -0.479152
H 0.662988 3.284705 0.361099
H 3.131506 3.207488 0.158660
H -2.614143 2.173792 2.074098
H -1.012972 2.920301 2.065756
H -2.440066 3.880948 1.644596
H 2.448457 -2.120816 -1.335880
H 4.052592 -1.242853 -1.449194
H -3.337978 -0.341626 2.011344
H -3.459747 0.217140 -2.264276
H -5.808911 -0.488155 2.081475
H -5.962596 0.073368 -2.208780
H 7.136810 1.409519 -1.494769
H 7.595955 1.491515 0.224732
H 6.710987 0.070108 -0.414484
H -8.027729 0.361190 1.699232
H -7.931942 -1.434501 1.468276
H -9.198670 -0.476288 0.609202
H 5.210437 -2.069249 2.896030
H 3.822286 -3.105056 2.499166
H 5.481453 -3.652926 2.145012


%chk=000259035-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259035

0 1
O 0.363193 -1.077436 -0.853684
O 4.596743 1.210623 -0.802859
O 3.328625 -2.142193 0.064416
O -7.492555 -0.401954 -0.294053
O 5.231930 1.875985 1.361593
O 5.619405 -1.672830 0.157530
C -0.961633 -1.271459 -0.151337
C -1.758045 0.049643 -0.158897
C -1.094429 1.254166 -0.102510
C 0.385587 1.272614 -0.158644
C 1.071024 0.086594 -0.553675
C -0.648595 -1.725540 1.295003
C -1.619651 -2.396956 -0.963228
C -1.840125 2.576814 0.025918
C -3.254645 -0.052836 -0.152684
C 2.476751 0.041501 -0.738933
C 1.170224 2.433161 0.069732
C 3.200321 1.238774 -0.514245
C 2.567725 2.428481 -0.103312
C -1.968416 3.049115 1.501214
C 3.155563 -1.242272 -1.142575
C -3.979010 -0.259122 1.047769
C -3.994078 0.032602 -1.367159
C -5.388464 -0.381581 1.054115
C -5.394980 -0.084053 -1.380713
C -6.099025 -0.295498 -0.168007
C 5.551967 1.509028 0.217323
C 4.602834 -2.239373 0.623460
C 6.936325 1.266049 -0.324091
C -8.269036 -0.621376 0.928441
C 4.565885 -3.098397 1.870006
H -0.008674 -2.625391 1.274190
H -1.584285 -1.968736 1.829342
H -0.122979 -0.930864 1.852599
H -2.584422 -2.686612 -0.515100
H -1.798683 -2.077114 -2.003475
H -0.951978 -3.275387 -0.976030
H -2.855020 2.468665 -0.394215
H -1.330481 3.357740 -0.569655
H 0.682783 3.363313 0.375712
H 3.160340 3.328475 0.075273
H -2.576214 2.332990 2.082454
H -0.983239 3.131932 1.993912
H -2.462612 4.036588 1.551991
H 2.517887 -1.839303 -1.809401
H 4.149222 -1.055077 -1.578749
H -3.437241 -0.316318 1.999152
H -3.457724 0.195233 -2.308822
H -5.909644 -0.536207 2.003586
H -5.964704 -0.016082 -2.312545
H 7.030645 1.654635 -1.350968
H 7.685703 1.726300 0.336128
H 7.091401 0.172490 -0.357427
H -8.146742 0.218148 1.640444
H -7.984388 -1.571147 1.422011
H -9.316314 -0.675911 0.597183
H 4.277508 -2.469268 2.732043
H 3.820695 -3.902977 1.772612
H 5.565444 -3.515891 2.063135


