%chk=000201644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201644

0 1
O -1.133719 2.227501 1.148719
O -0.771108 -0.066519 -2.675693
O -5.584289 -2.148127 1.626789
O -5.817237 0.029276 2.088394
N -1.267384 -0.614365 -0.524777
N -0.590196 2.370858 -1.074614
C -2.131460 0.575641 -0.346988
C -3.155400 0.352601 0.774169
C -4.182988 -0.715752 0.399732
C -1.229931 1.791357 0.014153
C -0.609314 -0.834971 -1.735523
C 0.423745 3.431504 -0.861825
C 0.252457 -2.076116 -1.826425
C 1.777246 2.834021 -0.551273
C 1.082876 -2.340330 -0.603658
C -5.250168 -0.821111 1.448249
C 2.067564 2.432040 0.761487
C 2.735814 2.672357 -1.559634
C 2.032788 -1.395618 -0.184690
C 0.919485 -3.533050 0.115104
C 3.317619 1.888867 1.064326
C 3.984340 2.121751 -1.252275
C 2.812747 -1.648165 0.945890
C 1.705331 -3.779195 1.245153
C 4.278034 1.733264 0.058129
C 2.651456 -2.838806 1.662817
H -2.662671 0.784085 -1.319651
H -2.641793 0.096370 1.726065
H -3.666598 1.318941 0.998427
H -4.668254 -0.474942 -0.573982
H -3.695383 -1.704297 0.242299
H -1.050779 -1.157679 0.309360
H -0.557039 1.884455 -1.981908
H 0.090784 4.090863 -0.020438
H 0.456875 4.071588 -1.771894
H -0.397763 -2.943476 -2.078144
H 0.921516 -1.967469 -2.715672
H 1.305901 2.540675 1.539821
H 2.514446 2.974165 -2.581717
H 2.165397 -0.462469 -0.735319
H 0.188684 -4.273122 -0.204503
H 3.545015 1.591617 2.086829
H 4.729738 1.999417 -2.036338
H 3.548621 -0.910803 1.267954
H 1.578788 -4.707858 1.800336
H 5.253821 1.314519 0.295868
H 3.261599 -3.032225 2.543232
H -6.304015 -2.277968 2.300239


%chk=000201644-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201644

0 1
O -1.253410 2.497069 1.132550
O -0.617199 -0.013902 -2.690841
O -5.935380 -2.051402 1.171421
O -4.503889 -1.270699 2.823409
N -1.062160 -0.504234 -0.466934
N -0.567342 2.411856 -1.103716
C -2.024906 0.610826 -0.294109
C -3.027445 0.290680 0.827286
C -3.975507 -0.860039 0.435786
C -1.252677 1.936516 -0.007150
C -0.418382 -0.742475 -1.659620
C 0.347117 3.568281 -1.011522
C 0.540025 -1.946605 -1.710711
C 1.806189 3.151146 -0.831273
C 0.997069 -2.489746 -0.365935
C -4.783898 -1.376714 1.609786
C 2.221989 2.532473 0.377903
C 2.758231 3.357061 -1.859184
C 1.971315 -1.788079 0.394868
C 0.455845 -3.689920 0.162997
C 3.563320 2.125716 0.548927
C 4.102851 2.950620 -1.689590
C 2.392229 -2.276508 1.651304
C 0.875795 -4.180686 1.421254
C 4.508789 2.332581 -0.485063
C 1.845286 -3.474462 2.169310
H -2.543565 0.723712 -1.266288
H -2.491313 0.047510 1.762602
H -3.603204 1.204999 1.051545
H -4.670860 -0.564196 -0.369912
H -3.396599 -1.719543 0.038601
H -0.773522 -1.030408 0.363754
H -0.563773 1.823958 -1.954130
H 0.007941 4.166013 -0.146543
H 0.232507 4.179212 -1.925000
H 0.027717 -2.731449 -2.299237
H 1.398918 -1.614071 -2.320572
H 1.490164 2.383903 1.180917
H 2.447729 3.834748 -2.797055
H 2.402187 -0.859151 -0.000111
H -0.290476 -4.247302 -0.416842
H 3.876240 1.661920 1.491925
H 4.829487 3.116740 -2.492949
H 3.146008 -1.725555 2.224715
H 0.450322 -5.110907 1.813807
H 5.550751 2.020878 -0.350286
H 2.172190 -3.853509 3.143777
H -6.427507 -2.403554 1.962731


