%chk=000191877.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191877

0 1
O 2.279080 0.378713 0.759830
O 1.928502 -1.897338 0.623451
O -0.034397 1.181542 -0.916123
O 2.298864 2.573064 2.285901
O -1.294095 0.791940 0.989394
O 1.286994 4.405521 0.331999
O 4.934734 -1.820409 1.576677
O 5.793251 -1.909952 -0.823211
O 3.506034 -2.686030 -2.542546
O 0.367337 4.511924 -2.273543
O -0.276616 -2.662898 -0.545956
O -6.513544 -1.908428 -1.234194
O -7.333390 -0.550276 0.234968
N -6.398192 -1.050590 -0.372087
C 1.026730 0.818804 1.318889
C 1.144939 2.348962 1.474806
C 2.756991 -0.900704 1.197084
C 1.298160 2.997309 0.082125
C 4.234403 -0.891284 0.732951
C 4.470734 -1.402385 -0.708138
C -0.065790 0.449078 0.282400
C 0.085057 2.624858 -0.800252
C 3.469217 -2.508970 -1.122454
C 2.033509 -2.046964 -0.819965
C 0.265730 3.081145 -2.257436
C 0.955625 -3.088675 -1.145492
C -2.498901 0.288450 0.569575
C -2.655439 -0.700866 -0.413461
C -3.598662 0.848177 1.257572
C -3.939136 -1.139328 -0.718041
C -4.873669 0.403341 0.945408
C -5.044606 -0.587805 -0.043637
H 0.832131 0.331692 2.299916
H 0.255230 2.759011 2.012977
H 2.629314 -1.067447 2.287555
H 2.266606 2.711044 -0.386696
H 4.654031 0.135847 0.853481
H 4.448197 -0.560533 -1.442875
H -0.053606 -0.618060 -0.060050
H -0.859512 3.012329 -0.357176
H 3.713981 -3.475597 -0.628788
H 1.808745 -1.064119 -1.296525
H 1.228015 2.743551 -2.690048
H -0.561263 2.733779 -2.900711
H 1.215964 -4.099255 -0.787228
H 0.741164 -3.116296 -2.232594
H 2.546385 3.530989 2.236155
H 1.312303 4.897331 -0.539393
H 5.440530 -1.338963 2.267836
H 6.012658 -2.480633 -0.035840
H 4.439851 -2.826961 -2.834095
H -0.521922 4.920806 -2.182387
H -0.222522 -2.796099 0.431785
H -1.791017 -1.132088 -0.932387
H -3.428528 1.609922 2.016914
H -4.099873 -1.913316 -1.479118
H -5.754317 0.811841 1.455897


%chk=000191877-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191877

0 1
O 2.338923 0.366177 0.774635
O 1.996139 -2.025751 0.716997
O -0.001590 1.083560 -0.885778
O 2.237558 2.725791 2.359702
O -1.321032 0.832902 1.122995
O 1.334582 4.435337 0.284793
O 4.980536 -2.150363 1.396612
O 5.791499 -1.467963 -1.117512
O 3.552949 -2.519144 -2.636969
O 0.482609 4.471384 -2.365824
O -0.262676 -2.963427 -0.622865
O -6.591306 -1.851277 -1.340531
O -7.485002 -0.457055 0.230379
N -6.477974 -0.969580 -0.400982
C 1.071633 0.839741 1.354110
C 1.141370 2.366235 1.469845
C 2.802486 -0.930222 1.240812
C 1.310301 2.984348 0.074389
C 4.285610 -0.996449 0.795769
C 4.399766 -1.219541 -0.723643
C -0.088129 0.441274 0.406750
C 0.123498 2.566964 -0.828048
C 3.513591 -2.398477 -1.179625
C 2.056673 -2.137371 -0.773825
C 0.319155 2.998781 -2.290943
C 1.086121 -3.260185 -1.138883
C -2.557660 0.339307 0.671686
C -2.710097 -0.631852 -0.352434
C -3.687164 0.874492 1.343391
C -4.004402 -1.062624 -0.696971
C -4.977097 0.446867 0.995824
C -5.123626 -0.519885 -0.027250
H 0.905995 0.381756 2.348991
H 0.175108 2.726104 1.883325
H 2.697900 -1.019574 2.340303
H 2.260469 2.631797 -0.377311
H 4.774654 -0.046752 1.084130
H 4.092773 -0.307165 -1.261624
H -0.085283 -0.638832 0.190734
H -0.811440 2.997732 -0.411290
H 3.876658 -3.328938 -0.691729
H 1.712249 -1.183874 -1.221331
H 1.256235 2.577828 -2.689186
H -0.524438 2.653502 -2.916497
H 1.450952 -4.230157 -0.744831
H 0.991244 -3.325585 -2.232373
H 2.378298 3.702978 2.251794
H 1.289872 4.859953 -0.619707
H 5.227416 -1.952541 2.332814
H 6.172204 -2.068328 -0.419612
H 4.507341 -2.447416 -2.904584
H -0.403884 4.904355 -2.436331
H -0.215134 -3.021698 0.366028
H -1.851284 -1.063484 -0.873276
H -3.529136 1.617119 2.130666
H -4.157736 -1.813148 -1.476617
H -5.866278 0.841074 1.494010


