%chk=000230725.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230725

0 1
O -0.404964 -1.805501 0.563339
O -2.640019 1.434225 0.272347
N -4.052441 -0.313924 -0.084840
N -0.958311 -0.045559 1.908547
C 1.378101 -0.226092 1.093848
C 2.255517 -1.032455 0.155972
C 1.486833 1.244321 0.744505
C -0.053985 -0.768998 1.096970
C -2.388965 -0.395918 1.805338
C -3.019553 0.314125 0.599401
C -4.416750 -1.741954 0.112961
C -4.670235 0.383530 -1.250601
C 3.320674 -1.780608 0.677148
C 2.599443 1.958106 1.220062
C 2.019573 -1.022475 -1.226967
C 0.533517 1.896810 -0.048834
C -3.410581 -2.682196 -0.544571
C -6.081769 0.860601 -0.916648
C 4.145412 -2.511799 -0.183221
C 2.749276 3.311525 0.910147
C 2.846714 -1.756102 -2.080453
C 0.686878 3.253533 -0.351166
C 3.911639 -2.500326 -1.561335
C 1.792202 3.963607 0.125526
H 1.751583 -0.365197 2.150044
H -2.913478 -0.070289 2.732835
H -2.482610 -1.508669 1.747534
H -0.785693 0.949318 2.086060
H -4.497984 -1.953428 1.202690
H -5.434413 -1.910005 -0.308005
H -4.028732 1.258192 -1.526418
H -4.680052 -0.301340 -2.125947
H 3.508055 -1.801764 1.748224
H 3.354108 1.455612 1.822440
H 1.187020 -0.448516 -1.631899
H -0.346477 1.370476 -0.428880
H -3.368970 -2.546492 -1.631266
H -2.379645 -2.519191 -0.176700
H -3.656988 -3.731310 -0.350415
H -6.751817 0.033274 -0.660080
H -6.076577 1.552026 -0.063257
H -6.522527 1.395031 -1.766403
H 4.970545 -3.093394 0.223875
H 3.614572 3.859297 1.279935
H 2.659604 -1.749263 -3.152940
H -0.066290 3.755179 -0.959001
H 4.554037 -3.070721 -2.228541
H 1.908221 5.018797 -0.112663


%chk=000230725-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230725

0 1
O -0.359929 -1.863200 0.694134
O -2.571132 1.255725 -0.353296
N -4.105324 -0.491784 -0.193992
N -0.963916 0.163290 1.644054
C 1.431547 -0.187539 1.058518
C 2.263935 -0.963333 0.027223
C 1.595715 1.332272 0.896995
C -0.036533 -0.698569 1.080436
C -2.382285 -0.188578 1.614173
C -3.026630 0.237804 0.266676
C -4.584069 -1.752607 0.429213
C -4.744460 -0.083607 -1.471237
C 3.277722 -1.850073 0.460603
C 2.647729 1.981700 1.593456
C 2.045554 -0.804018 -1.363974
C 0.780939 2.104125 0.024253
C -3.797989 -2.992733 -0.054246
C -6.020672 0.754351 -1.248765
C 4.064825 -2.563127 -0.472689
C 2.889907 3.362334 1.425347
C 2.826209 -1.515859 -2.298816
C 1.021957 3.486868 -0.142081
C 3.841735 -2.397011 -1.857486
C 2.076343 4.121675 0.552527
H 1.830064 -0.456128 2.059238
H -2.908285 0.333318 2.435451
H -2.453597 -1.273554 1.779520
H -0.711263 1.147178 1.758302
H -4.537767 -1.668471 1.529259
H -5.655565 -1.856629 0.175765
H -4.002697 0.505358 -2.035797
H -4.974486 -0.999691 -2.047773
H 3.447389 -1.992857 1.535339
H 3.289834 1.395531 2.263003
H 1.263435 -0.124332 -1.720151
H -0.062876 1.646720 -0.506276
H -3.892255 -3.113950 -1.148545
H -2.723207 -2.901644 0.183938
H -4.191926 -3.907691 0.425697
H -6.771266 0.203260 -0.652368
H -5.775616 1.691766 -0.720734
H -6.481337 1.014347 -2.219487
H 4.845102 -3.246921 -0.119483
H 3.708728 3.843426 1.972238
H 2.644079 -1.384840 -3.371642
H 0.377536 4.066071 -0.812648
H 4.448859 -2.948044 -2.584676
H 2.259640 5.193767 0.419503


