%chk=000195951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195951

0 1
O 4.101283 1.926160 -0.556388
O -4.697364 -0.172903 -2.622282
C -0.892028 0.455755 0.209747
C 0.011160 -0.714686 0.686725
C -2.281446 0.433636 0.918650
C 1.375603 -0.672917 -0.048284
C 2.103727 0.684946 0.181784
C -2.981338 -0.943152 0.678672
C -0.172434 1.805247 0.397847
C -0.699937 -2.059421 0.435955
C 1.184247 1.827029 -0.310312
C -2.072685 -2.108716 1.112694
C 3.397118 0.681132 -0.694869
C 2.298717 -1.840731 0.348923
C -3.199390 1.566283 0.378209
C -3.422089 -1.132446 -0.785020
C 4.343163 -0.497788 -0.358936
C -2.131415 0.657707 2.438260
C 3.584915 -1.831696 -0.485721
C 2.474870 0.912060 1.656436
C -3.618937 1.374008 -1.079694
C -4.320812 0.019805 -1.249219
C 5.565057 -0.472749 -1.279878
H -1.078279 0.318296 -0.884335
H 0.190592 -0.606257 1.782686
H 1.168823 -0.760012 -1.144768
H -3.901175 -0.968582 1.314485
H -0.034932 2.017402 1.476128
H -0.806362 2.625695 0.007884
H -0.074365 -2.893436 0.809260
H -0.811219 -2.231093 -0.652053
H 1.039772 1.750617 -1.404625
H 1.687396 2.800638 -0.151160
H -2.565723 -3.073243 0.886703
H -1.949574 -2.088443 2.212924
H 3.143271 0.689299 -1.778869
H 1.775668 -2.806448 0.208436
H 2.540832 -1.786300 1.427389
H -2.688938 2.543049 0.488061
H -4.104184 1.633146 1.013524
H -2.536013 -1.213542 -1.442821
H -3.962522 -2.091180 -0.899135
H 4.693662 -0.381706 0.695435
H -1.737080 1.654883 2.659732
H -3.088527 0.561012 2.959608
H -1.440875 -0.068482 2.882501
H 4.243923 -2.662370 -0.170395
H 3.344709 -2.029250 -1.548272
H 3.047889 1.837429 1.782919
H 1.576810 0.999748 2.280188
H 3.068845 0.084339 2.059214
H -4.296189 2.188878 -1.398931
H -2.739384 1.439648 -1.747385
H -5.312007 0.002916 -0.741565
H 6.023787 0.526742 -1.281690
H 6.325054 -1.192222 -0.961748
H 5.303611 -0.701950 -2.318503
H 4.352281 2.080699 0.376380
H -3.919763 -0.185084 -3.208202


%chk=000195951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195951

0 1
O 4.156809 1.981561 -0.572796
O -4.688042 -0.222823 -2.776793
C -0.887560 0.478471 0.311256
C 0.015246 -0.711880 0.785225
C -2.336220 0.448312 0.935674
C 1.399379 -0.666096 0.056084
C 2.153094 0.698711 0.258296
C -3.006769 -0.944598 0.650668
C -0.154301 1.829546 0.511744
C -0.695916 -2.071368 0.557204
C 1.211436 1.846121 -0.204883
C -2.121527 -2.110709 1.152444
C 3.417802 0.699245 -0.667687
C 2.331281 -1.863261 0.374293
C -3.258028 1.558424 0.331250
C -3.398208 -1.139368 -0.842442
C 4.373281 -0.502387 -0.452071
C -2.290889 0.697545 2.470851
C 3.586557 -1.836347 -0.524581
C 2.576023 0.932924 1.735293
C -3.619546 1.362716 -1.159100
C -4.296292 -0.004157 -1.367711
C 5.532698 -0.489296 -1.472295
H -1.001973 0.347261 -0.788846
H 0.193426 -0.606892 1.877264
H 1.171992 -0.728245 -1.036277
H -3.956613 -0.960937 1.230818
H -0.016024 2.033175 1.591444
H -0.768672 2.660148 0.116044
H -0.106137 -2.889364 1.010598
H -0.733248 -2.280562 -0.532561
H 1.041673 1.741402 -1.298199
H 1.720212 2.817699 -0.061231
H -2.604326 -3.076492 0.900768
H -2.053720 -2.075238 2.257803
H 3.072892 0.692265 -1.721593
H 1.802431 -2.818551 0.204791
H 2.620951 -1.850073 1.444655
H -2.806331 2.556557 0.483107
H -4.202035 1.561668 0.917028
H -2.492441 -1.194064 -1.480906
H -3.927945 -2.104566 -0.958439
H 4.809942 -0.413414 0.568027
H -2.016780 1.744519 2.695515
H -3.287917 0.515119 2.916013
H -1.569748 0.044812 2.992430
H 4.264478 -2.673774 -0.266735
H 3.273066 -1.999269 -1.578072
H 2.976963 1.956520 1.861445
H 1.720710 0.839889 2.425328
H 3.345204 0.217085 2.075922
H -4.299709 2.166443 -1.498386
H -2.709558 1.420731 -1.792759
H -5.266816 -0.018696 -0.837128
H 6.072897 0.472899 -1.453401
H 6.252372 -1.302786 -1.262776
H 5.146927 -0.635828 -2.499759
H 4.627668 1.998768 0.299766
H -3.864319 -0.218096 -3.329321


