%chk=000287288.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287288

0 1
O 2.012539 -0.325692 -1.595166
O 3.315719 1.528465 -0.349934
O -4.264064 -1.515487 -0.306755
O -2.031213 -1.667090 -0.585660
N -4.589832 0.728842 -0.013384
C 1.245825 0.584066 -0.890277
C 1.958044 1.646717 -0.253572
C -0.857621 1.562704 -0.183617
C -0.140843 0.550843 -0.857055
C 1.249041 2.668324 0.383560
C -0.148913 2.619367 0.414278
C 1.713745 -1.732099 -1.350730
C 4.135035 2.589033 0.242553
C -2.312228 1.569139 -0.087566
C 2.243009 -2.185064 -0.018022
C 5.554309 2.161641 -0.013602
C -3.169837 0.531907 -0.169648
C -5.174278 -0.443238 -0.091527
C -6.579261 -0.823541 0.001952
C 1.643144 -3.273441 0.631413
C 3.345537 -1.543565 0.562878
C -2.950202 -0.932520 -0.378685
C 5.859547 1.277370 -1.056911
C 6.577628 2.674877 0.797479
C 2.155608 -3.722876 1.851665
C 3.851218 -1.994838 1.784167
C 7.187207 0.906023 -1.286633
C 7.903064 2.304188 0.556937
C -7.556562 0.167165 0.203013
C -6.951529 -2.175113 -0.108683
C 3.259921 -3.086787 2.428249
C 8.209683 1.419835 -0.483102
C -8.901067 -0.199691 0.292289
C -8.298198 -2.529690 -0.017852
C -9.271873 -1.544184 0.182285
H -0.663881 -0.266301 -1.362111
H 1.763670 3.493985 0.866315
H -0.689181 3.417169 0.926443
H 2.267358 -2.200133 -2.190868
H 0.628784 -1.911718 -1.467649
H 3.896873 3.540006 -0.269864
H 3.898367 2.653050 1.319937
H -2.759221 2.564395 0.100285
H 0.775982 -3.765776 0.193668
H 3.792363 -0.679554 0.058173
H 5.054212 0.876768 -1.679515
H 6.346788 3.358620 1.611343
H 1.690388 -4.568311 2.355121
H 4.707767 -1.495035 2.232855
H 7.423221 0.214924 -2.094834
H 8.699214 2.703688 1.183133
H -7.259689 1.215633 0.287997
H -6.182248 -2.936424 -0.264993
H 3.656463 -3.439438 3.377816
H 9.243270 1.131538 -0.665458
H -9.661563 0.564685 0.447951
H -8.590555 -3.575722 -0.103081
H -10.322583 -1.825540 0.252600


%chk=000287288-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287288

0 1
O 2.536593 -0.596243 -0.974730
O 3.633703 1.700499 -0.328921
O -4.174613 -1.678907 -0.565269
O -1.866156 -1.884564 -0.922515
N -4.319746 0.478245 0.260140
C 1.652859 0.372521 -0.498401
C 2.257611 1.635607 -0.169769
C -0.562814 1.280922 0.091971
C 0.268095 0.205068 -0.361787
C 1.444465 2.701539 0.287915
C 0.057237 2.526124 0.416963
C 2.041863 -1.992841 -1.138052
C 4.309373 2.977675 -0.046220
C -2.000518 1.206631 0.243854
C 1.919907 -2.722956 0.188493
C 5.787541 2.815294 -0.352646
C -2.943131 0.213986 -0.005323
C -4.993422 -0.612392 -0.065762
C -6.429057 -0.852617 0.020074
C 0.742173 -3.437166 0.517707
C 3.011335 -2.722442 1.095364
C -2.813748 -1.167562 -0.539093
C 6.270201 1.732186 -1.125099
C 6.696547 3.792884 0.123671
C 0.662281 -4.155555 1.733754
C 2.926385 -3.430282 2.313024
C 7.649376 1.635043 -1.421099
C 8.072677 3.696355 -0.177591
C -7.279132 0.175869 0.515207
C -6.985562 -2.097438 -0.383678
C 1.752354 -4.154358 2.633007
C 8.553701 2.615468 -0.952949
C -8.666914 -0.042501 0.603538
C -8.376889 -2.306530 -0.291611
C -9.220908 -1.283164 0.200944
H -0.201076 -0.750395 -0.602137
H 1.890634 3.665428 0.546912
H -0.561337 3.358240 0.771744
H 2.831036 -2.437325 -1.768237
H 1.091142 -2.006110 -1.702770
H 3.859727 3.770083 -0.681909
H 4.155263 3.253337 1.017276
H -2.468332 2.123825 0.630105
H -0.116803 -3.417740 -0.163190
H 3.915157 -2.153721 0.847095
H 5.564852 0.972674 -1.473958
H 6.332708 4.630971 0.732532
H -0.253390 -4.704538 1.980251
H 3.772128 -3.422012 3.009976
H 8.016822 0.792050 -2.017092
H 8.767109 4.457322 0.195596
H -6.831970 1.127074 0.821188
H -6.323728 -2.881840 -0.763132
H 1.687969 -4.707633 3.576917
H 9.621652 2.537152 -1.185126
H -9.319521 0.750269 0.984902
H -8.804032 -3.265753 -0.603360
H -10.301578 -1.449656 0.270904


