%chk=000193550.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193550

0 1
O -1.408979 0.489213 -0.833226
O 4.537306 -1.647618 -0.447123
O -4.125925 1.862148 0.566418
O 6.786235 -0.886214 0.347671
O 7.071593 1.175528 1.235340
N 2.985493 1.970555 0.701849
C -0.495706 -1.961318 -1.613805
C 0.429135 -0.938875 -1.019368
C -1.054056 -2.896234 -0.529010
C -0.067788 0.336498 -0.606241
C 2.647439 -0.239422 -0.268446
C 1.777089 -1.198182 -0.838555
C 2.121505 1.000957 0.124522
C -1.978001 -3.963516 -1.129991
C 0.753703 1.310564 -0.041105
C 4.087031 -0.575358 -0.102909
C 4.889669 0.505192 0.507328
C -2.542907 -4.887274 -0.053390
C 4.332710 1.700001 0.877462
C -2.043700 1.755654 -0.471426
C -3.524666 1.462246 -0.698950
C 6.331684 0.340198 0.744308
C -5.476993 1.635994 0.743463
C -6.333549 1.066642 -0.204066
C -5.930338 2.053021 2.011908
C 8.206598 -1.132945 0.547895
C -7.683861 0.912945 0.136722
C -7.276709 1.886937 2.318916
C -8.157170 1.318182 1.385074
H -1.332149 -1.455033 -2.141597
H 0.033531 -2.550691 -2.390194
H -1.602136 -2.301485 0.227820
H -0.220607 -3.380365 0.016111
H 2.207050 -2.164132 -1.136233
H -2.808473 -3.478810 -1.679337
H -1.425400 -4.561234 -1.881500
H 0.365280 2.272085 0.269257
H 2.602212 2.867904 0.990455
H -3.128744 -4.332747 0.688665
H -3.199963 -5.648347 -0.488763
H -1.746203 -5.412534 0.486326
H 4.946204 2.498603 1.333556
H -1.644491 2.542845 -1.130896
H -1.841038 1.986985 0.593704
H -3.969843 2.064678 -1.507749
H -3.699289 0.380530 -0.871261
H -5.982710 0.744575 -1.177259
H -5.228845 2.488703 2.718285
H 8.315424 -2.151442 0.158213
H 8.445258 -1.071946 1.613588
H 8.792036 -0.407964 -0.024866
H -8.368437 0.470210 -0.587231
H -7.651291 2.200724 3.293643
H -9.207016 1.193968 1.638296


%chk=000193550-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193550

0 1
O -1.489005 -0.021416 -0.295067
O 4.734120 -1.518411 -0.968875
O -4.297177 1.985825 0.880484
O 7.140752 -0.467096 -0.071324
O 7.063170 1.452919 1.234041
N 2.939695 1.619683 1.097661
C -0.378810 -2.201274 -1.675217
C 0.496498 -1.178865 -0.973674
C -0.958489 -3.264043 -0.699053
C -0.087944 -0.083487 -0.253360
C 2.735556 -0.365364 -0.284749
C 1.895371 -1.283034 -0.969120
C 2.115775 0.703745 0.416533
C -1.852838 -4.301147 -1.414654
C 0.705870 0.853647 0.435913
C 4.223549 -0.546866 -0.323285
C 4.982605 0.478960 0.435548
C -2.419778 -5.364482 -0.449594
C 4.304495 1.499541 1.098662
C -2.153380 1.085457 0.404938
C -3.648256 0.885917 0.160009
C 6.463862 0.550672 0.579071
C -5.704249 2.056206 0.833289
C -6.523645 1.135642 0.135742
C -6.278873 3.136446 1.546448
C 8.617195 -0.422672 0.053309
C -7.927802 1.308881 0.160158
C -7.678674 3.294013 1.560108
C -8.512674 2.381566 0.867358
H -1.222502 -1.695486 -2.181651
H 0.216316 -2.715544 -2.453534
H -1.544637 -2.750833 0.088463
H -0.122359 -3.783429 -0.189341
H 2.393310 -2.097537 -1.507151
H -2.687445 -3.775318 -1.922276
H -1.267295 -4.800292 -2.213686
H 0.256250 1.688934 0.982418
H 2.504696 2.392132 1.604221
H -3.033892 -4.895102 0.342276
H -3.055276 -6.096399 -0.981278
H -1.603944 -5.922718 0.046909
H 4.878071 2.249677 1.651907
H -1.821723 2.060318 -0.003077
H -1.933363 1.048913 1.489956
H -3.874327 0.934825 -0.923338
H -3.978272 -0.094900 0.555529
H -6.092942 0.296779 -0.419250
H -5.618818 3.830824 2.075510
H 8.964136 -1.291509 -0.522708
H 8.916523 -0.498090 1.112542
H 9.010566 0.519335 -0.365099
H -8.562511 0.597049 -0.379443
H -8.120110 4.130745 2.112722
H -9.600171 2.507259 0.880376


