%chk=000290046.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290046

0 1
O 4.147156 1.429332 1.952186
O 7.236676 0.481919 -0.856156
O 5.673845 -0.307276 -2.257096
O 4.066242 -4.972122 -1.051996
O 6.029069 -4.676416 -0.018580
O -3.679040 -0.483723 -2.782346
N 3.929525 0.159554 0.077732
N -1.856247 3.084751 0.227806
N -3.538192 0.817733 -0.230967
N -4.374107 -0.699691 2.012579
N -4.963460 -2.496788 0.562551
N -4.626944 -2.342445 -1.836465
N -5.404172 -4.362342 -0.878556
C 5.292670 -0.378228 0.195922
C 5.325757 -1.890114 0.480232
C 0.303704 2.379609 -0.719426
C -0.566747 2.510157 0.403506
C 2.058699 1.575197 0.768192
C 1.601921 1.915819 -0.515922
C -0.142062 2.715603 -2.118552
C 4.616960 -2.737529 -0.577543
C 3.443801 1.096040 1.013967
C -0.096434 2.177666 1.690587
C 1.208456 1.726409 1.870810
C -2.926965 2.725837 1.185426
C 6.023128 -0.088637 -1.120927
C -0.913880 1.564420 -2.759277
C -3.464203 1.317095 1.020923
C 5.034231 -4.173053 -0.482237
C -3.884512 0.546639 2.147962
C -4.011082 -0.439590 -0.393038
C -4.441611 -1.202018 0.732032
C -4.062077 -1.033327 -1.786120
C -5.000286 -3.022325 -0.768305
H 5.826477 0.164358 1.042404
H 4.868334 -2.072079 1.477301
H 6.386280 -2.218578 0.583541
H 3.353474 -0.198682 -0.679036
H 2.275591 1.826006 -1.371169
H -0.753800 3.641820 -2.124117
H 0.738009 2.965951 -2.748805
H 4.842232 -2.369961 -1.611805
H 3.511008 -2.654493 -0.486393
H -0.744316 2.292971 2.556771
H 1.575249 1.492467 2.873490
H -2.200373 3.043320 -0.744561
H -3.765742 3.451726 1.029386
H -2.565485 2.883875 2.229560
H -0.311307 0.650250 -2.808457
H -1.219834 1.808664 -3.783334
H -1.831643 1.305195 -2.210668
H -3.823811 0.941818 3.171355
H 7.761334 0.689377 -1.678310
H -5.184783 -3.054229 1.390436
H 4.306795 -5.936848 -1.039464
H -6.130907 -4.701268 -0.262847
H -5.488302 -4.711119 -1.835382


%chk=000290046-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290046

0 1
O 3.554573 -0.100056 2.286278
O 7.939939 0.140869 -0.220432
O 6.328305 1.232392 -1.484760
O 5.076834 -4.277118 -2.254629
O 5.420627 -4.549098 0.025158
O -4.317386 -0.659072 -2.701402
N 4.309567 0.395826 0.155216
N -1.789696 2.770296 -0.057390
N -3.852601 0.823837 -0.278912
N -4.728361 -0.375674 2.151981
N -5.560686 -2.202424 0.912975
N -5.390281 -2.354506 -1.492303
N -6.423295 -4.054632 -0.277151
C 5.640713 -0.135419 0.459535
C 5.707444 -1.693531 0.421168
C 0.366940 1.923590 -0.854072
C -0.561896 2.152222 0.221070
C 1.998308 0.994964 0.768909
C 1.620229 1.358830 -0.553129
C -0.007282 2.240054 -2.297198
C 5.336038 -2.270561 -0.955001
C 3.317736 0.395496 1.132715
C -0.194896 1.772834 1.545542
C 1.060957 1.205300 1.810043
C -2.919263 2.778582 0.872130
C 6.626308 0.494710 -0.515986
C -0.933517 1.169387 -2.945065
C -3.645891 1.432732 0.925487
C 5.293290 -3.784867 -0.955486
C -4.088413 0.826643 2.132488
C -4.482871 -0.380951 -0.292753
C -4.916746 -0.965596 0.938782
C -4.711738 -1.115773 -1.596017
C -5.773535 -2.842604 -0.316564
H 5.919579 0.163635 1.490062
H 5.012282 -2.065416 1.192236
H 6.724193 -2.009586 0.712577
H 4.216889 0.939992 -0.706421
H 2.298235 1.176732 -1.397481
H -0.485540 3.239498 -2.365865
H 0.918148 2.313966 -2.898100
H 6.040488 -1.953377 -1.748236
H 4.339046 -1.905011 -1.270950
H -0.890658 1.922201 2.377136
H 1.344533 0.908469 2.825190
H -2.062895 2.795193 -1.040293
H -3.633378 3.549780 0.526399
H -2.591994 3.082371 1.881267
H -0.428469 0.187104 -2.962798
H -1.177551 1.444645 -3.987295
H -1.888151 1.032765 -2.405097
H -3.923078 1.304744 3.103686
H 8.556632 0.566316 -0.875972
H -5.847165 -2.597291 1.813408
H 5.037650 -5.271669 -2.222289
H -6.747126 -4.496492 0.579333
H -6.566823 -4.516550 -1.172925


