%chk=000180178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180178

0 1
O 0.429201 -2.021165 0.180454
O 2.939853 3.152549 -1.531794
O 1.247733 3.929846 -0.059076
O 1.967847 -3.699849 0.036474
O -3.294906 0.981404 -1.198850
N 2.651954 -1.460201 0.161524
N -1.339895 -3.600414 2.549144
C 4.132838 -1.778363 0.224377
C 2.239301 -0.075245 0.142363
C 4.423756 -2.614601 1.469964
C 4.564227 -2.491815 -1.055874
C 2.887726 0.793054 -0.783016
C 2.477471 2.104248 -0.751917
C 1.245680 0.377954 1.016107
C 1.742357 -2.509758 0.121574
C 1.458975 2.568330 0.135282
C 0.825121 1.726619 1.020208
C -0.631135 -3.021479 0.089739
C 2.172149 4.334097 -1.120255
C -1.756765 -2.343425 -0.663963
C -1.965964 -0.969281 -0.506805
C -2.576919 -3.105704 -1.504520
C -3.022409 -0.381212 -1.209808
C -3.624036 -2.485604 -2.199933
C -3.863062 -1.119634 -2.060491
C -1.030367 -3.347994 1.467097
C -2.898617 1.747009 -0.092241
C -3.139511 1.340695 1.224515
C -2.345278 2.992696 -0.414821
C -2.813041 2.228475 2.253262
C -2.028111 3.858993 0.633335
C -2.258398 3.479771 1.961960
H 4.665024 -0.792422 0.309628
H 3.929875 -3.599072 1.425775
H 5.498303 -2.801366 1.576000
H 4.080126 -2.121422 2.386672
H 4.328039 -1.911400 -1.954318
H 4.061779 -3.467726 -1.161576
H 5.642636 -2.685617 -1.055696
H 3.641447 0.438141 -1.479984
H 0.764769 -0.323032 1.703889
H 0.037909 2.072725 1.689150
H -0.234665 -3.935500 -0.433984
H 1.576767 4.662751 -1.982274
H 2.877605 5.060646 -0.696117
H -1.300255 -0.377387 0.125336
H -2.410630 -4.174377 -1.623808
H -4.261475 -3.080417 -2.855817
H -4.671610 -0.619921 -2.590794
H -3.579204 0.368969 1.438306
H -2.175650 3.262894 -1.454533
H -2.996708 1.941615 3.289050
H -1.586224 4.831526 0.413666
H -2.008234 4.163999 2.770416


%chk=000180178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180178

0 1
O 0.468900 -1.938981 -0.077613
O 3.018723 3.154215 -1.659224
O 1.591283 4.040655 0.054049
O 1.988650 -3.727626 0.077499
O -3.593546 0.966377 -1.133020
N 2.726254 -1.486153 0.136146
N -1.227688 -3.506891 2.494732
C 4.188203 -1.866971 0.219782
C 2.379360 -0.078544 0.155411
C 4.491782 -2.617481 1.535655
C 4.656650 -2.646309 -1.028923
C 2.919343 0.766568 -0.858249
C 2.587045 2.119201 -0.791334
C 1.556020 0.447318 1.180496
C 1.779990 -2.486244 0.059531
C 1.746996 2.639283 0.216112
C 1.214171 1.825109 1.217905
C -0.628726 -2.937808 -0.054086
C 2.226766 4.347166 -1.255369
C -1.822343 -2.324351 -0.777529
C -2.127341 -0.959094 -0.572370
C -2.625804 -3.123178 -1.621961
C -3.250248 -0.402521 -1.220222
C -3.746174 -2.545741 -2.265279
C -4.066157 -1.187394 -2.068376
C -0.951168 -3.257038 1.361634
C -3.142002 1.755724 -0.037648
C -3.329014 1.346601 1.302761
C -2.589459 3.015309 -0.349663
C -2.939866 2.218799 2.343591
C -2.205091 3.878263 0.701059
C -2.375740 3.483266 2.048712
H 4.713456 -0.894942 0.246517
H 3.974035 -3.589957 1.557143
H 5.579394 -2.796169 1.617025
H 4.173566 -2.023046 2.410728
H 4.440133 -2.085930 -1.956526
H 4.159766 -3.628162 -1.085925
H 5.748130 -2.809361 -0.972203
H 3.542944 0.369369 -1.662757
H 1.159769 -0.226370 1.945071
H 0.560012 2.229603 1.993847
H -0.283504 -3.868258 -0.543580
H 1.435481 4.523792 -2.008455
H 2.906591 5.203930 -1.132541
H -1.476271 -0.343282 0.054125
H -2.383430 -4.179996 -1.778856
H -4.371696 -3.157441 -2.923663
H -4.925584 -0.721507 -2.559219
H -3.775161 0.372140 1.526347
H -2.469305 3.298035 -1.399701
H -3.087032 1.910553 3.384520
H -1.764423 4.852976 0.466448
H -2.079242 4.156094 2.860445


