%chk=000187748.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187748

0 1
O 5.879533 0.681459 -0.039391
N -2.542237 1.042580 -0.348948
C -0.045623 -0.883463 -0.551349
C -1.099910 -0.742311 0.562821
C -1.277714 0.812351 0.385222
C -0.821917 -0.369717 -1.834166
C 0.392831 -2.348938 -0.722044
C -0.677849 -1.359921 1.900902
C 1.130256 0.019497 -0.067997
C -2.290712 0.185281 -1.610734
C -0.424810 1.474947 1.458731
C -3.789661 0.681766 0.386983
C -4.998152 1.025543 -0.464454
C 0.807882 -2.970288 0.620813
C -0.297572 -2.834325 1.679108
C 0.968549 1.022019 0.960936
C -6.386137 0.662155 0.038602
C -5.797692 -0.071944 -1.150899
C 2.401487 -0.188162 -0.591656
C 2.088199 1.679389 1.462960
C 3.523295 0.504999 -0.098366
C 3.364291 1.415926 0.948170
C 4.898974 0.291733 -0.640697
C 5.034124 -0.407141 -1.965160
H -2.037798 -1.285861 0.291982
H -0.651443 1.290467 -0.492850
H -0.900114 -1.187312 -2.568769
H -0.220110 0.418379 -2.319499
H 1.219689 -2.430595 -1.450503
H -0.446416 -2.932793 -1.148653
H -1.504935 -1.279629 2.629052
H 0.183012 -0.838164 2.358597
H -2.529025 0.863708 -2.454956
H -2.998932 -0.662505 -1.653949
H -0.628993 1.153542 2.491072
H -0.509444 2.576317 1.455175
H -3.820761 -0.378840 0.720083
H -3.807853 1.303014 1.313024
H -4.875190 1.979356 -0.997466
H 1.732644 -2.481251 0.987252
H 1.060125 -4.036896 0.475617
H -1.187569 -3.414442 1.370839
H 0.041511 -3.279189 2.633205
H -7.207501 1.358211 -0.112421
H -6.501115 0.140007 0.984792
H -5.501416 -1.111380 -1.040788
H -6.203342 0.105102 -2.143668
H 2.533909 -0.917678 -1.393411
H 1.977961 2.416485 2.257892
H 4.240583 1.929339 1.355504
H 4.410560 0.054342 -2.740566
H 4.757210 -1.466406 -1.893409
H 6.077118 -0.371965 -2.316864


%chk=000187748-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187748

0 1
O 5.911581 1.119660 -0.262101
N -2.590144 0.964194 -0.309866
C -0.031270 -0.921188 -0.560657
C -1.057325 -0.808717 0.584439
C -1.315258 0.732644 0.410702
C -0.870294 -0.374507 -1.838768
C 0.435110 -2.387426 -0.759471
C -0.600745 -1.441959 1.915821
C 1.137424 0.040483 -0.075558
C -2.380017 0.068616 -1.552745
C -0.476544 1.487335 1.447476
C -3.852945 0.686583 0.413108
C -5.075445 1.174230 -0.354439
C 0.883152 -3.043143 0.571825
C -0.212275 -2.923617 1.662966
C 0.948340 1.067526 0.945367
C -6.472057 0.676417 0.043992
C -5.854301 0.238834 -1.294155
C 2.440650 -0.134200 -0.590899
C 2.071278 1.798509 1.401255
C 3.556353 0.622011 -0.140757
C 3.360453 1.585155 0.881095
C 4.937227 0.439052 -0.702780
C 5.154184 -0.579921 -1.819346
H -1.973157 -1.364122 0.300365
H -0.691327 1.047202 -0.436224
H -0.930749 -1.184023 -2.594060
H -0.323864 0.456349 -2.324489
H 1.232192 -2.471277 -1.524399
H -0.431442 -2.955093 -1.158145
H -1.416934 -1.383963 2.663115
H 0.271492 -0.920340 2.350750
H -2.764035 0.597294 -2.445020
H -2.992651 -0.854034 -1.440234
H -0.643727 1.205729 2.503553
H -0.572147 2.586956 1.365201
H -3.985124 -0.403496 0.651250
H -3.795177 1.226054 1.379123
H -4.997689 2.221506 -0.668386
H 1.811239 -2.558529 0.933875
H 1.126596 -4.109069 0.396181
H -1.110703 -3.490861 1.340091
H 0.139918 -3.389953 2.603297
H -7.303455 1.386730 0.027629
H -6.537237 -0.072280 0.840997
H -5.515929 -0.799301 -1.379897
H -6.267814 0.654322 -2.217840
H 2.595981 -0.892460 -1.365509
H 1.917401 2.569202 2.166479
H 4.225138 2.158571 1.230925
H 4.525646 -0.346871 -2.698989
H 4.888740 -1.599950 -1.483333
H 6.213486 -0.564066 -2.117110


