%chk=000201197.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201197

0 1
O 2.591149 -1.353356 2.092531
O -5.651461 -1.165964 -1.427954
O -6.958230 -0.308288 0.358255
N -0.734375 0.479318 -0.436255
N 1.674488 -1.078157 0.021835
N 7.642977 1.279379 -0.886266
C -0.594802 -0.352436 0.805027
C 0.604523 0.999264 -0.871972
C 0.350919 -1.538129 0.529448
C 1.539946 -0.195099 -1.164312
C -1.682790 1.621865 -0.211864
C -3.089366 1.110173 -0.003976
C 2.726533 -0.932009 0.953870
C -3.609580 0.150928 -0.913864
C -3.859164 1.607856 1.048541
C 4.007627 -0.356297 0.449692
C -4.906297 -0.249138 -0.696264
C -5.691933 0.266157 0.378271
C -5.194664 1.193394 1.264512
C 4.536047 0.782579 1.076028
C 4.718499 -0.980490 -0.586126
C -6.965007 -1.228839 -0.781349
C 5.749626 1.317908 0.657061
C 5.937055 -0.464750 -1.015010
C 6.457345 0.696934 -0.398233
H -1.602780 -0.742777 1.070905
H -0.231139 0.227169 1.680453
H 1.074930 1.676636 -0.127872
H 0.462184 1.585551 -1.805471
H 0.497679 -2.132873 1.461649
H -0.088909 -2.214004 -0.237735
H 1.118438 -0.808457 -1.995431
H 2.531718 0.174917 -1.499487
H -1.676794 2.257987 -1.129895
H -1.373702 2.282751 0.628515
H -2.994492 -0.245314 -1.720753
H -3.435687 2.339003 1.735922
H -5.786012 1.587570 2.085195
H 3.992514 1.245425 1.902544
H 4.313507 -1.880823 -1.053650
H -7.100349 -2.246368 -0.392196
H -7.711896 -0.869155 -1.500891
H 6.147751 2.206672 1.138123
H 6.480677 -0.950025 -1.820449
H 8.262189 0.691504 -1.423312
H 8.133707 1.914608 -0.275390


%chk=000201197-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201197

0 1
O 2.752060 -0.986673 2.265779
O -5.479047 -1.638592 -1.389833
O -7.131245 -0.651680 0.052529
N -0.845679 0.749210 -0.238327
N 1.672524 -0.584804 0.238968
N 8.053104 0.595164 -1.020634
C -0.631117 -0.028267 1.010425
C 0.426499 1.346817 -0.705524
C 0.407771 -1.138595 0.772562
C 1.484303 0.250530 -0.966246
C -1.932298 1.749827 -0.115465
C -3.316360 1.117889 0.000377
C 2.818313 -0.614098 1.045378
C -3.637127 -0.019369 -0.799318
C -4.292744 1.686399 0.853337
C 4.139062 -0.247770 0.433095
C -4.932878 -0.523373 -0.701430
C -5.904171 0.054477 0.144495
C -5.614507 1.164390 0.939284
C 5.108127 0.379842 1.260375
C 4.524263 -0.616753 -0.883990
C -6.889188 -1.742772 -0.929875
C 6.395792 0.672567 0.785059
C 5.817013 -0.349001 -1.367810
C 6.773901 0.314623 -0.544206
H -1.591349 -0.481003 1.314714
H -0.281186 0.630976 1.843952
H 0.842477 2.074654 0.038569
H 0.239469 1.895057 -1.648477
H 0.640101 -1.654787 1.717473
H 0.002516 -1.862616 0.038587
H 1.139770 -0.385221 -1.806850
H 2.437579 0.723672 -1.245099
H -1.894172 2.378904 -1.028459
H -1.773002 2.439982 0.751866
H -2.875381 -0.469115 -1.441270
H -4.026759 2.553335 1.469006
H -6.365665 1.604591 1.599768
H 4.831933 0.617147 2.293175
H 3.819346 -1.158496 -1.525226
H -7.033320 -2.715636 -0.428392
H -7.560772 -1.602702 -1.794857
H 7.123072 1.167375 1.440512
H 6.097480 -0.663170 -2.380679
H 8.331635 0.324459 -1.959197
H 8.742454 1.045404 -0.425722


