%chk=000249580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249580

0 1
O -0.031121 3.560390 -0.110454
O 2.943105 0.193922 0.575805
O -3.038371 0.324052 -0.344699
O 0.064100 -0.523812 0.072749
O 3.159268 0.881327 -1.573182
O -2.796595 0.595608 1.893602
C 3.660789 -2.014702 -0.128110
C -3.681063 -1.973243 0.118164
C 4.740309 -3.089904 0.037559
C -4.817051 -2.998835 0.035584
C 1.229217 1.524347 -0.272757
C -1.157875 1.495131 0.355153
C 4.113023 -0.681901 0.456449
C -4.189505 -0.562397 -0.153629
C 0.052337 0.683598 0.060631
C 1.149371 2.872058 -0.365964
C -1.164686 2.842396 0.262489
C 2.514802 0.841431 -0.549196
C -2.375798 0.760032 0.774276
C 4.295972 -4.421699 -0.562185
C -4.312926 -4.411445 0.320370
C 2.201688 3.842932 -0.723294
C -2.269272 3.790490 0.507069
H 2.714285 -2.331161 0.360655
H 3.401079 -1.887802 -1.199459
H -2.873994 -2.224213 -0.601636
H -3.195606 -2.012103 1.116149
H 4.977511 -3.226385 1.111312
H 5.680799 -2.759001 -0.446062
H -5.285611 -2.966206 -0.967861
H -5.615974 -2.736439 0.757395
H 4.427908 -0.749346 1.513243
H 4.880731 -0.178434 -0.154697
H -4.695829 -0.458483 -1.129732
H -4.817045 -0.165779 0.662215
H 4.090197 -4.332430 -1.635553
H 5.066515 -5.190368 -0.437429
H 3.380095 -4.792637 -0.086473
H -3.874737 -4.488809 1.322820
H -5.125733 -5.143386 0.259243
H -3.539760 -4.716292 -0.394985
H 1.795935 4.831495 -0.996408
H 2.800880 3.480253 -1.584539
H 2.909086 4.002777 0.109633
H -1.950865 4.844353 0.429622
H -2.701028 3.652730 1.516924
H -3.093059 3.646292 -0.215508


%chk=000249580-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249580

0 1
O 0.005823 3.714619 0.011279
O 2.770691 0.061072 0.721570
O -2.786081 0.085829 -0.720017
O -0.009152 -0.429837 -0.001565
O 3.337628 1.088411 -1.296315
O -3.343458 1.103475 1.305385
C 3.518550 -2.125682 -0.198849
C -3.544766 -2.101488 0.189517
C 4.659434 -3.169237 -0.249385
C -4.690010 -3.140457 0.234222
C 1.239706 1.643405 -0.151521
C -1.242975 1.651449 0.161935
C 3.930974 -0.877504 0.591635
C -3.951395 -0.847080 -0.594075
C -0.004597 0.839882 0.002572
C 1.212111 3.019336 -0.175610
C -1.205385 3.026992 0.194220
C 2.544307 0.922349 -0.335514
C -2.552601 0.938521 0.342404
C 4.258211 -4.432421 -1.041509
C -4.294724 -4.408983 1.020768
C 2.351820 3.978057 -0.348948
C -2.338194 3.992818 0.373459
H 2.618236 -2.566994 0.267835
H 3.238555 -1.829276 -1.227043
H -2.646248 -2.544003 -0.279497
H -3.263561 -1.811872 1.219319
H 4.946331 -3.456674 0.782962
H 5.559221 -2.714371 -0.711607
H -4.977189 -3.421789 -0.799730
H -5.588353 -2.684086 0.697805
H 4.185885 -1.117180 1.636997
H 4.767838 -0.345807 0.102825
H -4.208374 -1.079801 -1.640487
H -4.785032 -0.313548 -0.101757
H 3.997274 -4.177633 -2.085490
H 5.081396 -5.169604 -1.067099
H 3.377286 -4.921818 -0.585830
H -4.034679 -4.160282 2.066432
H -5.120622 -5.143288 1.041319
H -3.414795 -4.899314 0.564172
H 2.121287 4.694163 -1.157642
H 3.276256 3.444068 -0.607555
H 2.506108 4.563189 0.576212
H -2.103324 4.701235 1.187677
H -3.266783 3.463774 0.627369
H -2.487130 4.585781 -0.547546


