%chk=000217747.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217747

0 1
O 3.841581 -0.025002 -0.448089
O -3.331361 0.892053 -0.120976
O 2.765013 -0.446853 1.488126
O -2.225795 0.277332 1.747805
N 0.310188 1.539247 -2.120380
C 0.207467 -0.088665 0.238032
C 1.508055 0.354568 -0.406725
C -0.983623 0.697289 -0.280389
C -0.011473 -1.574194 -0.010286
C 1.525649 1.073665 -1.561155
C -0.922076 1.412553 -1.437145
C -0.085117 -2.490102 1.060869
C -0.142922 -2.039407 -1.325935
C 2.695847 -0.078491 0.335101
C -2.161245 0.588789 0.579433
C 2.748779 1.450378 -2.321460
C -2.067148 2.116641 -2.076189
C -0.290228 -3.852859 0.784617
C 0.051716 -2.039987 2.476587
C -0.346349 -3.395574 -1.590261
C -0.420024 -4.303289 -0.529904
C 5.099679 -0.435608 0.172032
C -4.581789 0.880263 0.630218
C 5.643646 0.690611 1.027490
C -4.936930 2.238680 0.963757
C -5.230558 3.373468 1.242190
H 0.291949 0.111119 1.346126
H 0.335780 2.045644 -3.002260
H -0.085378 -1.332884 -2.151921
H 2.599148 2.194931 -3.109494
H 3.206458 0.552350 -2.778233
H 3.531629 1.838928 -1.639062
H -1.794794 2.860952 -2.831208
H -2.690611 2.631437 -1.315324
H -2.755023 1.387110 -2.542715
H -0.347739 -4.564077 1.605943
H -0.728713 -1.300168 2.733436
H -0.026769 -2.857487 3.200598
H 1.031253 -1.552186 2.640196
H -0.446524 -3.742713 -2.614645
H -0.578261 -5.361334 -0.728024
H 4.921513 -1.359002 0.753307
H 5.716195 -0.645585 -0.719712
H -5.288632 0.414304 -0.088131
H -4.470168 0.241050 1.537648
H 6.643718 0.456581 1.409996
H 5.706335 1.632189 0.470401
H 4.992830 0.869566 1.898063
H -5.485174 4.344265 1.488752


%chk=000217747-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217747

0 1
O 3.942226 0.206248 -0.356897
O -3.328803 1.165923 0.028812
O 2.707750 -0.593248 1.452873
O -2.129421 0.141459 1.757358
N 0.273495 1.295981 -2.227558
C 0.203643 -0.234174 0.166581
C 1.516982 0.247114 -0.473146
C -0.994045 0.598020 -0.325471
C -0.024086 -1.741222 -0.106373
C 1.512551 0.913338 -1.685179
C -0.949261 1.258592 -1.542017
C -0.109269 -2.699948 0.950761
C -0.152937 -2.176707 -1.451252
C 2.726332 -0.085540 0.296676
C -2.145612 0.600723 0.583058
C 2.702271 1.335337 -2.523012
C -2.067925 2.001224 -2.243740
C -0.322184 -4.061781 0.607427
C 0.023441 -2.310626 2.411998
C -0.363865 -3.533161 -1.774244
C -0.449353 -4.484961 -0.733385
C 5.182310 -0.112230 0.412668
C -4.501347 1.240045 0.951613
C 5.562537 1.041729 1.345619
C -4.838836 2.636801 1.249639
C -5.152128 3.800584 1.508457
H 0.288102 -0.100159 1.256638
H 0.287557 1.772478 -3.129872
H -0.085089 -1.439979 -2.260559
H 2.372482 1.809589 -3.466424
H 3.343769 0.472917 -2.762301
H 3.339859 2.048433 -1.974806
H -1.713138 2.443210 -3.193505
H -2.469643 2.806091 -1.607356
H -2.915379 1.330469 -2.457358
H -0.387717 -4.801680 1.414671
H -0.754098 -1.578733 2.696776
H -0.077704 -3.197328 3.061543
H 1.007619 -1.845946 2.604574
H -0.459665 -3.844354 -2.820945
H -0.612656 -5.544619 -0.961864
H 5.014003 -1.043703 0.980612
H 5.939407 -0.275712 -0.371950
H -5.329128 0.737268 0.422817
H -4.252602 0.683899 1.874745
H 6.522982 0.817037 1.846329
H 5.679764 1.984336 0.782656
H 4.793656 1.181593 2.123487
H -5.416844 4.815868 1.741925


