%chk=000219833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219833

0 1
O -5.775732 0.233127 0.861148
O 4.646046 0.948207 2.423223
C 0.139948 -1.059683 -0.366589
C -1.164742 -0.894177 0.425474
C 0.915368 0.288374 -0.282377
C -2.074505 0.210688 -0.208209
C 2.270640 0.202269 -1.047426
C 3.123098 -0.979766 -0.478873
C -3.353256 0.070107 0.678153
C 0.045617 1.470424 -0.766534
C -1.325283 1.549708 -0.072703
C 0.988999 -2.214080 0.191978
C -2.110394 -2.096261 0.583337
C 2.341107 -2.307207 -0.522487
C -3.480557 -1.460964 0.916725
C 3.081824 1.520234 -0.901419
C -2.402770 -0.061880 -1.684805
C 3.618567 -0.708010 0.954684
C 2.042646 -0.026073 -2.556420
C -4.642458 0.663398 0.082490
C 3.556784 1.792699 0.525263
C 4.389701 0.614210 1.039032
C -4.620155 2.189436 0.029379
H -0.095924 -1.277479 -1.436226
H -0.884908 -0.560832 1.458358
H 1.158353 0.471322 0.795099
H 4.022633 -1.089614 -1.133960
H -3.159950 0.567063 1.656378
H -0.102767 1.401454 -1.861834
H 0.592075 2.418289 -0.594430
H -1.193626 1.809415 0.993723
H -1.921894 2.372228 -0.510992
H 0.440987 -3.168506 0.081310
H 1.144710 -2.081054 1.279721
H -1.775117 -2.780187 1.377307
H -2.163199 -2.692843 -0.341799
H 2.946973 -3.115217 -0.071291
H 2.185976 -2.605729 -1.577587
H -4.281487 -1.891749 0.291613
H -3.772939 -1.663438 1.958738
H 2.472021 2.374282 -1.254135
H 3.956813 1.484071 -1.579394
H -2.948187 0.770905 -2.137625
H -1.488942 -0.211660 -2.273650
H -3.009031 -0.966621 -1.802123
H 2.758618 -0.672857 1.654701
H 4.249304 -1.546498 1.298457
H 1.513879 0.817528 -3.012639
H 2.985680 -0.153565 -3.095953
H 1.436771 -0.921536 -2.737741
H -4.890034 0.223470 -0.911242
H 4.153712 2.723142 0.571962
H 2.699073 1.961828 1.207452
H 5.373039 0.547828 0.525061
H -3.810855 2.555405 -0.615838
H -5.568583 2.574974 -0.364983
H -4.476573 2.636917 1.017972
H -5.709363 0.536483 1.783508
H 5.102468 0.221099 2.878335


%chk=000219833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219833

0 1
O -5.799284 0.281660 1.167912
O 4.737756 1.001960 2.522616
C 0.138638 -1.073912 -0.411421
C -1.208395 -0.908076 0.321143
C 0.917628 0.284667 -0.355187
C -2.129024 0.212377 -0.273335
C 2.327238 0.194406 -1.056327
C 3.154274 -0.984039 -0.415842
C -3.384199 0.051703 0.662020
C 0.037639 1.461289 -0.862356
C -1.346488 1.546998 -0.161342
C 0.982184 -2.222012 0.194210
C -2.145061 -2.130668 0.457893
C 2.377336 -2.326464 -0.461797
C -3.523178 -1.504361 0.850827
C 3.154541 1.511552 -0.888492
C -2.526957 -0.064303 -1.749840
C 3.626859 -0.666649 1.032446
C 2.183200 -0.046478 -2.586293
C -4.721513 0.691815 0.225328
C 3.586791 1.820578 0.561699
C 4.410024 0.656282 1.123169
C -4.706679 2.225594 0.098778
H -0.066855 -1.332238 -1.471995
H -0.963574 -0.573728 1.357411
H 1.102017 0.477059 0.725505
H 4.071243 -1.098081 -1.037290
H -3.109927 0.503518 1.643946
H -0.113148 1.376189 -1.955839
H 0.566367 2.419212 -0.696893
H -1.194749 1.784310 0.913467
H -1.915941 2.389706 -0.597986
H 0.445022 -3.182567 0.074035
H 1.085828 -2.058133 1.287027
H -1.785853 -2.852736 1.212394
H -2.214303 -2.676228 -0.503559
H 2.974117 -3.114776 0.040207
H 2.259027 -2.648856 -1.515120
H -4.343643 -1.890826 0.219238
H -3.799672 -1.749054 1.890682
H 2.592548 2.368366 -1.305437
H 4.067336 1.415106 -1.515134
H -3.132999 0.768443 -2.153176
H -1.645998 -0.169065 -2.405704
H -3.122719 -0.989267 -1.848256
H 2.770478 -0.599245 1.728894
H 4.262117 -1.506125 1.387554
H 1.763447 0.842722 -3.091605
H 3.175600 -0.240862 -3.036621
H 1.534115 -0.905223 -2.828024
H -5.057892 0.240701 -0.725605
H 4.189236 2.747195 0.596921
H 2.711291 1.980976 1.219522
H 5.351761 0.559221 0.533860
H -4.086477 2.558364 -0.752142
H -5.736150 2.591895 -0.059336
H -4.302758 2.698394 1.015298
H -5.558378 0.618176 2.069998
H 5.236356 0.246634 2.927249


