%chk=000288173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288173

0 1
O -2.609598 1.814072 2.083671
N 2.439757 1.622384 0.184955
N -1.175462 -0.626935 0.778605
N 5.912439 -2.838724 -0.237182
N -6.242999 -2.193616 -1.202229
C 0.674776 0.620319 1.672046
C 0.558575 2.981851 0.751648
C 1.322092 1.698628 0.826266
C -0.812379 3.008550 1.085507
C -0.778943 0.483056 1.284975
C -1.530425 1.782617 1.534812
C 1.188937 4.167499 0.349226
C -1.529082 4.210998 1.011063
C 3.264939 0.461799 0.108860
C 0.465241 5.362084 0.274987
C -0.892642 5.386607 0.604560
C -2.485142 -0.950909 0.330325
C 5.042769 -1.704366 -0.215550
C -4.980167 -1.859061 -0.633918
C 2.802588 -0.761210 -0.410831
C 4.622540 0.602825 0.455153
C -2.553791 -1.742744 -0.836530
C -3.670810 -0.633136 1.018119
C 3.680918 -1.827420 -0.576545
C 5.496920 -0.466752 0.300114
C -3.780369 -2.182907 -1.315352
C -4.898583 -1.085987 0.548333
C 5.513865 -3.954201 -1.141033
C 7.367968 -2.541797 -0.358488
C -6.270966 -3.372866 -2.111491
C -7.412319 -2.187323 -0.280319
H 1.204528 -0.355842 1.576684
H 0.763299 0.882277 2.749475
H 2.249918 4.151574 0.082164
H -2.590051 4.216026 1.278397
H 0.965780 6.277120 -0.043343
H -1.454459 6.317863 0.546209
H 1.755133 -0.871939 -0.697811
H 4.984558 1.554719 0.844226
H -1.634437 -2.003662 -1.363350
H -3.629802 -0.032466 1.933880
H 3.297563 -2.763599 -0.977954
H 6.538651 -0.342488 0.590811
H -3.810516 -2.773049 -2.229070
H -5.798759 -0.821557 1.099653
H 6.208010 -4.799833 -1.006793
H 5.497558 -3.681311 -2.207525
H 4.511055 -4.317849 -0.854744
H 7.645568 -2.053873 -1.305583
H 7.941348 -3.478470 -0.265170
H 7.682164 -1.891108 0.476744
H -6.039607 -4.325136 -1.609295
H -5.546971 -3.224281 -2.932471
H -7.267285 -3.454094 -2.576071
H -8.336304 -2.353149 -0.858031
H -7.505111 -1.191977 0.190118
H -7.355476 -2.946930 0.514896


%chk=000288173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288173

0 1
O -2.822475 2.225624 1.663768
N 2.505385 1.818358 0.364807
N -1.251004 -0.382695 0.924746
N 5.582055 -2.833206 -0.795055
N -5.920468 -2.853031 -1.155377
C 0.617660 0.874311 1.807277
C 0.690117 3.262510 1.021987
C 1.362135 1.938060 0.999725
C -0.707358 3.336115 1.328457
C -0.846764 0.786370 1.378235
C -1.562494 2.109541 1.484987
C 1.407135 4.456148 0.747640
C -1.344164 4.605762 1.381164
C 3.205831 0.614543 0.129661
C 0.764630 5.706651 0.812334
C -0.616445 5.784055 1.137793
C -2.473028 -0.876417 0.450579
C 4.806650 -1.706368 -0.497051
C -4.797480 -2.213934 -0.631748
C 2.597366 -0.627143 -0.229085
C 4.628650 0.674519 0.123041
C -2.368980 -2.119468 -0.252646
C -3.788400 -0.332687 0.623178
C 3.376069 -1.752525 -0.545889
C 5.413852 -0.453858 -0.155353
C -3.483163 -2.767762 -0.793775
C -4.912489 -0.987081 0.103182
C 4.931455 -4.097976 -1.155054
C 7.046367 -2.741289 -0.782354
C -5.776742 -4.123125 -1.881009
C -7.255915 -2.264378 -0.977485
H 1.075670 -0.120466 1.737662
H 0.657192 1.200335 2.869016
H 2.467766 4.367045 0.494755
H -2.416311 4.629693 1.601618
H 1.331288 6.623691 0.614801
H -1.113913 6.758722 1.189953
H 1.506543 -0.697602 -0.310345
H 5.103982 1.633815 0.353717
H -1.367736 -2.549316 -0.362576
H -3.902546 0.600556 1.181152
H 2.864040 -2.671679 -0.844624
H 6.502696 -0.357150 -0.125022
H -3.340106 -3.707626 -1.333721
H -5.896376 -0.541308 0.275338
H 5.698603 -4.869031 -1.329106
H 4.325435 -4.004864 -2.080392
H 4.263317 -4.459309 -0.346995
H 7.421594 -1.998993 -1.516872
H 7.477884 -3.721069 -1.041401
H 7.432226 -2.454262 0.217365
H -5.336559 -4.913858 -1.240708
H -5.134644 -4.012021 -2.777814
H -6.767622 -4.468719 -2.214205
H -8.005842 -2.900459 -1.473010
H -7.317720 -1.251820 -1.423192
H -7.529848 -2.183629 0.093730


