%chk=000299159.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299159

0 1
O 2.909435 -2.777213 0.641722
O 1.330648 -1.860785 1.984669
C 0.215449 -0.716924 -0.527111
C 1.053830 0.310303 -1.269280
C -1.166077 -0.947516 -1.115474
C 1.262092 1.635782 -0.772166
C 0.941252 -2.083288 -0.420231
C 2.334023 2.382199 -1.332278
C 0.475890 2.283302 0.280336
C -2.194311 -1.494491 -0.260222
C 1.719904 -0.100875 -2.420340
C -1.457469 -0.659875 -2.428198
C 1.003145 3.424491 0.938128
C -3.480275 -1.746268 -0.806463
C 3.002567 1.933389 -2.499388
C 2.666136 0.719777 -3.062732
C 2.802092 3.592305 -0.685669
C 1.690401 -2.192848 0.877994
C 2.208656 4.052707 0.440667
C -0.836670 1.877667 0.637243
C -1.975101 -1.789024 1.124309
C -2.753007 -0.908708 -2.966344
C -3.740251 -1.443138 -2.181654
C 0.312495 4.004612 2.033759
C -4.507595 -2.297124 0.024791
C -1.514117 2.467681 1.689135
C -2.976489 -2.314040 1.901845
C -0.921918 3.519697 2.420239
C -4.261191 -2.576094 1.345208
C 3.795154 -3.017101 1.782366
C 3.327196 -4.235002 2.550799
H 0.081397 -0.343798 0.535382
H 0.204631 -2.918886 -0.464609
H 1.620830 -2.263469 -1.281625
H 1.533497 -1.095443 -2.830923
H -0.709354 -0.226062 -3.092656
H 3.781971 2.553026 -2.939622
H 3.145705 0.374194 -3.976867
H 3.665678 4.096265 -1.118605
H 2.591468 4.922332 0.973550
H -1.349385 1.115708 0.050125
H -0.992357 -1.584499 1.566845
H -2.936783 -0.664587 -4.011908
H -4.732364 -1.641926 -2.583231
H 0.763331 4.845793 2.558206
H -5.485904 -2.487623 -0.413611
H -2.515189 2.128782 1.953803
H -2.803983 -2.535790 2.954369
H -1.451707 3.952939 3.266207
H -5.036027 -2.995721 1.984558
H 4.760305 -3.168900 1.265650
H 3.819289 -2.104197 2.403976
H 4.051825 -4.526745 3.319992
H 2.369532 -4.040392 3.057324
H 3.175398 -5.096997 1.888910


%chk=000299159-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299159

0 1
O 2.965944 -2.979359 0.279969
O 1.989406 -1.628301 1.915609
C 0.093737 -0.820036 -0.276730
C 1.075520 0.149528 -0.964739
C -1.273430 -0.966382 -0.972201
C 1.257851 1.530442 -0.554287
C 0.700772 -2.253107 -0.088964
C 2.412700 2.232761 -1.086199
C 0.394929 2.274651 0.385813
C -2.423592 -1.440378 -0.223654
C 1.904508 -0.374508 -1.980281
C -1.419838 -0.701297 -2.339775
C 0.857217 3.537991 0.924658
C -3.683447 -1.645533 -0.915821
C 3.223434 1.652295 -2.106322
C 2.948372 0.370372 -2.582828
C 2.798660 3.524789 -0.563378
C 1.918667 -2.228876 0.817222
C 2.084353 4.129058 0.446351
C -0.926543 1.868511 0.761540
C -2.383887 -1.705989 1.189356
C -2.663208 -0.898329 -3.015835
C -3.774638 -1.369228 -2.319759
C 0.070010 4.247688 1.882664
C -4.824358 -2.116823 -0.184975
C -1.695496 2.592546 1.685099
C -3.513193 -2.160153 1.875532
C -1.185555 3.777352 2.281638
C -4.746081 -2.374360 1.184411
C 4.218130 -3.057211 1.098474
C 4.128548 -4.193328 2.120938
H -0.056780 -0.445612 0.751493
H -0.064100 -2.884650 0.401909
H 0.947594 -2.740439 -1.043659
H 1.764555 -1.411071 -2.300910
H -0.563526 -0.321350 -2.905161
H 4.071623 2.227190 -2.496251
H 3.554813 -0.078885 -3.376186
H 3.697678 3.997851 -0.975591
H 2.405887 5.087099 0.871239
H -1.396846 1.013714 0.278222
H -1.459423 -1.539363 1.751914
H -2.733040 -0.675656 -4.086143
H -4.731525 -1.527633 -2.831324
H 0.461830 5.190229 2.283804
H -5.766521 -2.268506 -0.725475
H -2.703896 2.243058 1.932485
H -3.455463 -2.350618 2.952819
H -1.782608 4.330404 3.014752
H -5.623610 -2.733592 1.732956
H 5.005208 -3.234251 0.348229
H 4.372073 -2.081873 1.592439
H 5.092622 -4.292478 2.653722
H 3.343506 -3.986456 2.867433
H 3.908158 -5.154295 1.624658


