%chk=000277045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277045

0 1
O -5.777286 -0.005156 0.217373
O -1.798036 -2.311085 0.839105
O 7.007160 0.521032 0.424692
O 6.646573 -1.453763 -0.380047
N -0.214176 -0.180117 0.111508
N 6.270782 -0.360016 0.009964
C -1.611929 0.012603 0.103217
C -4.419649 0.082985 0.154589
C -2.376569 -1.136299 0.483158
C 2.085785 0.448461 -0.088221
C -3.772554 -1.110226 0.511867
C -2.310508 1.185620 -0.245230
C -3.697839 1.236842 -0.225745
C 2.980662 1.428242 0.381191
C 2.570637 -0.796426 -0.524593
C 0.637812 0.767279 -0.128061
C 4.819493 -0.080798 -0.023116
C -6.581121 1.174561 -0.131559
C 4.348086 1.166261 0.418264
C 3.937879 -1.065988 -0.493953
C -8.000445 0.681921 0.058496
H -4.342109 -1.991101 0.803462
H -1.747710 2.073730 -0.540465
H -4.208306 2.152283 -0.500750
H 2.606882 2.392682 0.726246
H 1.870314 -1.554009 -0.884291
H 0.405267 1.817862 -0.358288
H -6.312356 1.991937 0.558969
H -6.356212 1.449042 -1.176180
H 5.057246 1.916707 0.785172
H 4.330128 -2.032245 -0.830785
H -8.730686 1.468511 -0.164455
H -8.216882 -0.178091 -0.591940
H -8.171486 0.340920 1.090063
H -0.791846 -2.259862 0.800446


%chk=000277045-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277045

0 1
O -5.857929 -0.081135 0.072806
O -1.686007 -2.429804 0.150702
O 7.136129 0.696156 -0.025787
O 6.738539 -1.550923 0.067030
N -0.241671 -0.227734 0.045832
N 6.338565 -0.321748 0.019115
C -1.629096 -0.012400 0.043686
C -4.466790 0.005648 0.059978
C -2.386075 -1.240415 0.102397
C 2.108110 0.421853 0.008099
C -3.788476 -1.234275 0.110955
C -2.341133 1.216199 -0.007543
C -3.744736 1.238254 -0.000229
C 3.037073 1.503460 -0.039616
C 2.609598 -0.913658 0.059460
C 0.673393 0.717300 0.003121
C 4.883040 -0.064792 0.015274
C -6.649216 1.170536 0.025519
C 4.422222 1.270256 -0.036577
C 3.989223 -1.162797 0.063454
C -8.118018 0.759824 0.058618
H -4.352366 -2.168157 0.156342
H -1.798519 2.166994 -0.054490
H -4.270507 2.195412 -0.041335
H 2.661981 2.533045 -0.079283
H 1.896437 -1.741674 0.095700
H 0.407861 1.791398 -0.038368
H -6.385631 1.801898 0.897927
H -6.404291 1.722004 -0.904617
H 5.148274 2.086371 -0.072813
H 4.393177 -2.177737 0.102663
H -8.762133 1.657021 0.021530
H -8.362767 0.117561 -0.804134
H -8.346831 0.202665 0.982695
H -0.714430 -2.152305 0.131994


