%chk=000239616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239616

0 1
O 3.763439 -0.774660 -1.257613
O -2.891141 0.242393 -0.891674
O 4.053896 -2.609462 0.071060
O -4.028367 -1.297226 0.354175
O 0.239914 -1.051143 -1.324302
N 6.658485 0.848408 1.758765
N -6.718830 2.449295 -0.160535
N 5.802335 -1.077660 -0.242607
N -4.354198 0.998670 0.710156
C 5.835185 1.291899 0.584734
C 6.283644 -0.546664 2.166385
C -5.429075 2.580007 -0.917143
C -6.850138 1.070632 0.418304
C 6.088507 0.340125 -0.601494
C 6.529936 -1.509129 0.987683
C -4.249594 2.327575 0.043134
C -5.674877 0.804145 1.379550
C 6.477932 1.788956 2.903919
C -7.876847 2.748352 -1.054011
C 4.496662 -1.575455 -0.388405
C -3.822306 -0.134384 0.069444
C 2.512025 -1.335086 -1.746521
C -2.076716 -0.828439 -1.450184
C 1.472702 -1.344135 -0.624310
C -0.937647 -1.161748 -0.487478
H 4.747379 1.346583 0.804363
H 6.160300 2.317849 0.305634
H 6.934792 -0.841034 3.018558
H 5.233409 -0.635080 2.518407
H -5.365014 3.618177 -1.309696
H -5.360560 1.898896 -1.792452
H -6.900411 0.272390 -0.353301
H -7.803860 1.027815 0.988608
H 7.159510 0.386340 -0.909691
H 5.474263 0.638974 -1.480526
H 6.224347 -2.545406 1.259243
H 7.614030 -1.535261 0.728648
H -4.240864 3.095775 0.851580
H -3.280588 2.402004 -0.500150
H -5.735931 -0.228390 1.793181
H -5.708376 1.513655 2.238730
H 7.133582 1.474263 3.732449
H 5.449822 1.867596 3.286659
H 6.812480 2.793809 2.597999
H -7.982466 2.080448 -1.921501
H -8.806523 2.699798 -0.463539
H -7.787353 3.783711 -1.421671
H 2.701761 -2.338782 -2.161941
H 2.245084 -0.619589 -2.549939
H -1.698764 -0.359727 -2.382303
H -2.718919 -1.697471 -1.674943
H 1.666192 -0.551191 0.119644
H 1.406217 -2.324165 -0.119043
H -1.005720 -2.185197 -0.079829
H -0.874643 -0.430156 0.338792


%chk=000239616-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239616

0 1
O 4.045504 -0.518225 -1.170155
O -3.192555 0.659985 -1.530464
O 3.751868 -2.392109 0.229399
O -3.422836 -0.429369 0.545775
O 0.373861 -0.331191 -1.686096
N 7.683382 0.037464 2.067212
N -7.720013 1.944380 -0.175310
N 5.696936 -1.081779 0.337449
N -4.952326 1.212146 -0.148525
C 6.991249 0.891078 1.071970
C 6.786656 -1.038220 2.555754
C -6.938538 1.922179 -1.435605
C -7.228103 0.911136 0.769281
C 6.523344 0.048459 -0.131670
C 6.320492 -1.919302 1.382202
C -5.444944 2.178733 -1.150357
C -5.742334 1.149429 1.097531
C 8.277500 0.821542 3.167036
C -9.173122 1.843702 -0.412519
C 4.455577 -1.416892 -0.153254
C -3.838734 0.416730 -0.294231
C 2.716848 -0.806573 -1.760506
C -2.011461 -0.195351 -1.798820
C 1.618695 -0.120493 -0.940433
C -0.776267 0.326308 -1.054081
H 6.105240 1.411984 1.520007
H 7.696822 1.665419 0.717215
H 7.343073 -1.663130 3.278751
H 5.888657 -0.621417 3.081069
H -7.319753 2.716911 -2.103665
H -7.045771 0.942574 -1.969943
H -7.349803 -0.121995 0.352659
H -7.819042 0.973163 1.701903
H 7.414640 -0.348522 -0.658390
H 5.936038 0.657774 -0.833045
H 5.581578 -2.666472 1.712658
H 7.197305 -2.443751 0.952562
H -5.328515 3.206356 -0.750696
H -4.847991 2.082029 -2.068153
H -5.337611 0.338015 1.723003
H -5.641589 2.110832 1.639684
H 8.837420 0.148975 3.841251
H 7.520403 1.373558 3.779775
H 8.988106 1.560543 2.755307
H -9.478841 0.880889 -0.894909
H -9.712581 1.930893 0.547560
H -9.501647 2.672398 -1.065040
H 2.548433 -1.895738 -1.792708
H 2.760937 -0.389150 -2.778358
H -1.857851 -0.120713 -2.886690
H -2.229084 -1.236746 -1.508854
H 1.836082 0.965217 -0.839064
H 1.550216 -0.573530 0.070101
H -0.837705 0.071827 0.022915
H -0.699742 1.429940 -1.165486


