%chk=000115701.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115701

0 1
O -0.243732 -0.434390 0.958081
O 0.277791 -0.045172 -1.248411
O -6.563710 0.408145 -0.348830
N -3.724453 0.248124 -0.083094
C 0.881288 -0.211609 0.058169
C -1.469153 -0.650532 0.209341
C -2.401005 0.525670 0.555871
C -1.022351 -0.677651 -1.261144
C 1.569905 1.091627 0.405595
C 1.764911 -1.440639 0.097681
C 2.769752 1.522589 -0.183759
C 2.797283 -1.571252 -0.849296
C 3.618018 0.766261 -1.175297
C 3.017862 -0.471405 -1.847327
C -4.631485 -0.495952 0.852552
C -4.386116 1.517237 -0.532812
C 0.937812 1.902922 1.368187
C 1.566749 -2.434638 1.060967
C -5.943181 -0.808321 0.114684
C -5.706115 1.157070 -1.233874
C 3.294451 2.779141 0.198722
C 3.611113 -2.711737 -0.830776
C 1.470187 3.133018 1.740800
C 2.384605 -3.568469 1.077383
C 2.656938 3.575921 1.143715
C 3.402035 -3.706735 0.128908
H -1.859613 -1.622199 0.571366
H -1.955826 1.467487 0.163932
H -2.443505 0.650808 1.658909
H -0.907060 -1.696121 -1.663788
H -1.631754 -0.057035 -1.938493
H 3.934844 1.468458 -1.978912
H 4.556313 0.467095 -0.651774
H 3.684530 -0.803392 -2.667564
H 2.053130 -0.208749 -2.345641
H -4.851065 0.070108 1.783788
H -4.131436 -1.440838 1.152174
H -3.709025 2.031828 -1.248004
H -4.584664 2.222011 0.303066
H 0.014797 1.545338 1.834806
H 0.769400 -2.315067 1.798377
H -5.779499 -1.479386 -0.746829
H -6.712303 -1.225708 0.787651
H -6.316820 2.049183 -1.457387
H -5.534618 0.567561 -2.151764
H 4.220413 3.131582 -0.253680
H 4.409206 -2.823317 -1.561008
H 0.971288 3.744542 2.488330
H 2.228763 -4.339628 1.828062
H 3.080346 4.539910 1.421607
H 4.037559 -4.590997 0.138341


%chk=000115701-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115701

0 1
O -0.239465 -0.209694 1.087274
O 0.211976 0.187257 -1.176831
O -6.681419 0.165047 -0.410446
N -3.795070 0.251246 -0.094217
C 0.888335 -0.044087 0.137467
C -1.468942 -0.549711 0.316762
C -2.482710 0.597310 0.499507
C -0.973759 -0.697362 -1.137517
C 1.681777 1.222113 0.488711
C 1.706420 -1.347694 0.098745
C 2.918108 1.576561 -0.131598
C 2.697155 -1.537012 -0.907801
C 3.704734 0.774769 -1.177205
C 3.026670 -0.422807 -1.883866
C -4.646453 -0.567448 0.808681
C -4.553290 1.433681 -0.582659
C 1.126545 2.085167 1.471250
C 1.467301 -2.366318 1.050064
C -5.926311 -1.001464 0.075313
C -5.829862 0.970040 -1.302806
C 3.533775 2.797727 0.261919
C 3.404166 -2.762693 -0.944875
C 1.759295 3.283914 1.850454
C 2.187609 -3.581334 1.006728
C 2.977800 3.647816 1.235580
C 3.156289 -3.784603 -0.000138
H -1.864471 -1.501221 0.716636
H -2.078283 1.489444 -0.013950
H -2.555695 0.844149 1.585518
H -0.686969 -1.739424 -1.374346
H -1.698669 -0.317119 -1.872101
H 4.039214 1.487485 -1.956789
H 4.629237 0.405560 -0.685562
H 3.722553 -0.802553 -2.655001
H 2.111498 -0.076068 -2.393557
H -4.926016 0.007379 1.727303
H -4.088471 -1.466442 1.130813
H -3.917806 2.001855 -1.287540
H -4.837520 2.117414 0.255822
H 0.188684 1.782987 1.942411
H 0.716572 -2.189647 1.825652
H -5.659186 -1.658788 -0.780392
H -6.612723 -1.534953 0.753437
H -6.450788 1.828878 -1.606728
H -5.554717 0.371168 -2.198045
H 4.480734 3.077943 -0.217274
H 4.161442 -2.913061 -1.724183
H 1.307456 3.924513 2.615786
H 1.992398 -4.360032 1.752518
H 3.487179 4.578156 1.511010
H 3.716472 -4.725343 -0.048332


