%chk=000180536.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180536

0 1
O -6.235391 -1.296562 -0.040492
O -5.106361 -2.601732 1.590157
O 0.101763 -0.505457 -1.094156
O 4.348377 -0.372416 -1.839895
O 5.796394 0.202844 0.521561
O 1.456705 -0.768970 -2.866283
N -1.444664 3.839100 -0.980985
C -2.926233 0.390981 -0.289065
C -2.236496 1.493116 -1.040670
C -2.262469 -0.378397 0.680092
C -2.000742 2.723404 -0.145428
C -4.294299 0.149890 -0.598880
C -4.919303 -0.866448 0.080207
C -2.925768 -1.427269 1.382122
C -4.240826 -1.649101 1.060529
C -0.865539 -0.147208 1.074852
C 0.211371 -0.223726 0.283398
C 1.645365 -0.056864 0.597226
C 2.377697 -0.255534 -0.616911
C 3.762787 -0.168571 -0.634506
C -6.382994 -2.412968 0.897285
C 2.279054 0.227430 1.782518
C 1.413039 -0.541802 -1.696865
C -0.017233 3.586317 -1.339377
C -1.570174 5.139815 -0.256365
C 4.419873 0.131016 0.621718
C 3.694170 0.321306 1.784399
C 5.798249 -0.314100 -1.944570
C 6.543619 0.469127 1.735233
H -2.821603 1.800526 -1.934084
H -1.274195 1.119330 -1.461656
H -2.974553 3.053412 0.278927
H -1.352146 2.453328 0.714292
H -4.813222 0.746054 -1.345492
H -2.404673 -2.026217 2.123261
H -0.729319 0.070849 2.139767
H 1.728055 0.378071 2.707986
H -6.586815 -3.319344 0.312246
H -7.132866 -2.125950 1.645439
H 0.049834 2.638016 -1.899660
H 0.673393 3.531529 -0.486269
H 0.326530 4.383468 -2.017262
H -1.191228 5.946871 -0.903828
H -1.039140 5.190717 0.704591
H -2.637462 5.347966 -0.078258
H 4.193258 0.546202 2.725859
H 5.941680 -0.521487 -3.013404
H 6.251636 -1.087615 -1.316114
H 6.154255 0.685047 -1.672584
H 6.383156 -0.329475 2.465424
H 6.282316 1.452939 2.135657
H 7.576634 0.458644 1.362311


%chk=000180536-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180536

0 1
O -6.384226 -1.188823 0.365060
O -5.174337 -2.375064 2.064737
O 0.274840 0.009489 -1.283839
O 4.600141 0.465648 -1.726896
O 5.929031 0.233301 0.810886
O 1.836676 0.318688 -3.013106
N -1.591829 3.818229 -1.210880
C -2.981498 0.316986 -0.355189
C -2.376309 1.422638 -1.205539
C -2.241914 -0.423435 0.636174
C -2.032076 2.685071 -0.366502
C -4.382998 0.088486 -0.501283
C -5.011329 -0.841590 0.324773
C -2.937274 -1.338547 1.505579
C -4.297769 -1.538120 1.321208
C -0.797528 -0.327462 0.912673
C 0.310092 -0.140879 0.126920
C 1.716734 -0.093067 0.546850
C 2.522044 0.106335 -0.610765
C 3.934006 0.198599 -0.544124
C -6.462448 -2.323893 1.325813
C 2.315887 -0.215904 1.813975
C 1.650932 0.173342 -1.798787
C -0.290583 3.593004 -1.873871
C -1.621565 5.100070 -0.478962
C 4.532492 0.085797 0.755867
C 3.721546 -0.130195 1.901120
C 5.956364 -0.064598 -1.988956
C 6.575008 0.159099 2.124216
H -3.098872 1.734694 -1.980633
H -1.473274 1.060440 -1.719405
H -2.940492 3.005990 0.178965
H -1.264665 2.418792 0.405795
H -4.953039 0.650950 -1.245518
H -2.391895 -1.888819 2.277919
H -0.537016 -0.524483 1.962967
H 1.720801 -0.370076 2.718712
H -6.592562 -3.264200 0.757142
H -7.278675 -2.132395 2.038739
H -0.331385 2.703356 -2.522597
H 0.551341 3.449720 -1.147194
H -0.047678 4.462554 -2.510324
H -1.380274 5.927807 -1.170308
H -0.896516 5.145046 0.374789
H -2.634706 5.276471 -0.074786
H 4.194167 -0.215531 2.884057
H 6.095805 0.092125 -3.068843
H 6.004679 -1.142370 -1.751284
H 6.713355 0.480836 -1.405976
H 6.422365 -0.831908 2.593606
H 6.204716 0.955401 2.798010
H 7.645205 0.312494 1.923013


