%chk=000245988.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245988

0 1
O -0.726287 -1.168617 -0.366165
O -3.767604 0.771195 -0.610046
O -2.084995 0.885248 0.902247
O 0.335481 0.644961 -1.317920
N 1.398044 -0.825079 0.190518
C -2.055323 -0.845689 -0.885380
C -2.028193 -0.551728 -2.368828
C -2.843253 -2.090090 -0.498999
C -2.575087 0.364894 -0.066353
C 0.351125 -0.311052 -0.577755
C -4.462635 1.896740 0.019915
C 2.716869 -0.268494 0.249028
C -5.164839 1.430363 1.277276
C 3.650447 -0.919271 1.081748
C 3.082660 0.870078 -0.488133
C 4.949908 -0.417689 1.164270
C 4.388725 1.351667 -0.388013
C 5.324718 0.714236 0.432928
H -1.606167 -1.387176 -2.940870
H -3.039423 -0.350105 -2.750889
H -1.411980 0.335670 -2.603245
H -3.914988 -1.955718 -0.700316
H -2.498821 -2.967822 -1.062614
H -2.720671 -2.330958 0.566913
H -3.725727 2.696679 0.214366
H -5.157068 2.186966 -0.789413
H 1.195955 -1.634969 0.785619
H -5.806280 2.216822 1.692745
H -5.792521 0.550566 1.089184
H -4.439001 1.153003 2.057222
H 3.371398 -1.798391 1.656221
H 2.355223 1.377893 -1.129435
H 5.677034 -0.914900 1.806155
H 4.677372 2.235730 -0.957386
H 6.339502 1.097938 0.503705


%chk=000245988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245988

0 1
O -0.696987 -1.387211 -0.354265
O -3.500862 0.924851 -0.673638
O -2.188275 0.456650 1.197401
O 0.085224 0.774909 -0.914985
N 1.454538 -0.885861 0.082716
C -2.084314 -1.035424 -0.789505
C -2.133027 -0.841550 -2.314232
C -2.920861 -2.247174 -0.326560
C -2.546460 0.198782 0.028501
C 0.281960 -0.369945 -0.437706
C -4.095250 2.099124 0.044649
C 2.721915 -0.248229 0.180582
C -5.259724 1.658560 0.935598
C 3.784226 -0.996448 0.755731
C 2.954850 1.078917 -0.267254
C 5.066708 -0.425649 0.881825
C 4.245892 1.634143 -0.134391
C 5.307477 0.895115 0.436411
H -1.731661 -1.746205 -2.804355
H -3.174485 -0.689395 -2.640904
H -1.540522 0.033727 -2.620195
H -3.984264 -2.087667 -0.574700
H -2.568104 -3.156424 -0.842353
H -2.818644 -2.390771 0.761878
H -3.296370 2.583910 0.632037
H -4.422038 2.759522 -0.773929
H 1.377416 -1.836973 0.449364
H -5.738865 2.547229 1.386811
H -6.022538 1.116847 0.349614
H -4.903581 1.009064 1.752636
H 3.604841 -2.022040 1.103606
H 2.135560 1.653694 -0.703585
H 5.876452 -1.013519 1.328113
H 4.419676 2.659182 -0.480925
H 6.303692 1.339162 0.534308


