%chk=000267066.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267066

0 1
O 4.572449 1.198424 1.096642
O 1.017334 2.660006 -1.359584
N 2.804321 -0.758172 0.230937
N -1.332878 1.671090 -0.377125
N 2.888520 0.488539 -0.343624
N -0.434159 2.350285 0.415624
C 1.889607 -2.974118 0.427865
C -3.376890 0.465185 -0.767300
C 0.527507 -3.203230 1.111617
C -3.346386 -1.033026 -0.408934
C 2.168334 -4.061793 -0.631225
C -4.805980 1.033241 -0.642314
C -0.636879 -3.326829 0.118897
C -3.923337 -1.321532 0.984110
C 0.972358 -4.395248 -1.469827
C -5.535528 0.545483 0.572876
C -0.280165 -4.077738 -1.128435
C -5.149623 -0.514055 1.290488
C 1.931783 -1.607262 -0.226041
C -2.437503 1.230107 0.145442
C 3.069393 3.831521 0.245561
C 3.779874 2.749183 -0.575463
C 1.728137 3.390600 0.847858
C 3.830409 1.424550 0.169933
C 0.783312 2.792774 -0.179001
H 2.689321 -3.034481 1.213304
H -3.040337 0.580914 -1.831343
H 0.328700 -2.384355 1.827927
H 0.592820 -4.131002 1.714192
H -2.301532 -1.416303 -0.472702
H -3.925241 -1.590089 -1.171339
H 3.013980 -3.745984 -1.276158
H 2.513420 -4.986073 -0.120279
H -4.772354 2.141566 -0.652040
H -5.389336 0.746698 -1.544113
H -1.492161 -3.824582 0.620691
H -1.010031 -2.311698 -0.167614
H -4.155798 -2.403012 1.069293
H -3.157086 -1.118453 1.761775
H 1.193973 -4.938318 -2.387729
H -6.430805 1.111881 0.826338
H -1.127125 -4.344533 -1.758940
H -5.711530 -0.848224 2.161723
H 1.217054 -1.460936 -1.045324
H -2.781653 1.333905 1.181514
H 2.911654 4.717592 -0.404452
H 3.732655 4.160688 1.074063
H 4.823580 3.064086 -0.788944
H 3.286938 2.659363 -1.570476
H 1.254491 4.261648 1.346781
H 1.921540 2.647137 1.655491
H 2.269637 0.761268 -1.127667
H -0.613185 2.496015 1.414648


%chk=000267066-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267066

0 1
O 4.826469 1.645713 0.210574
O 0.279062 0.362036 -0.438475
N 3.947755 -1.031680 -0.199661
N -2.394885 1.184922 -0.148805
N 3.155357 0.098968 -0.419645
N -1.348602 1.627636 0.667793
C 4.182714 -3.462700 -0.229159
C -4.773687 1.225401 -0.714656
C 3.599204 -4.331325 0.926779
C -5.732267 0.304683 0.102936
C 4.218557 -4.308393 -1.537567
C -5.565465 2.466679 -1.223390
C 2.157917 -4.812413 0.628175
C -6.337735 1.025300 1.332307
C 2.939760 -5.097558 -1.764048
C -6.437418 3.084608 -0.142091
C 2.010006 -5.317940 -0.796143
C -6.775555 2.442671 1.008504
C 3.384318 -2.193671 -0.432680
C -3.587409 1.658110 0.115463
C 1.841202 2.920727 0.770158
C 2.628251 2.484149 -0.495548
C 0.980773 1.799470 1.430566
C 3.662679 1.382628 -0.200167
C -0.040833 1.185069 0.472338
H 5.210312 -3.153059 0.035906
H -4.378300 0.655662 -1.574980
H 3.627099 -3.762951 1.875034
H 4.256068 -5.214898 1.052594
H -5.197314 -0.610560 0.416195
H -6.551546 -0.008723 -0.573422
H 4.413962 -3.648443 -2.405833
H 5.080568 -5.007295 -1.491531
H -4.866401 3.225572 -1.627487
H -6.199972 2.158082 -2.080400
H 1.877995 -5.615751 1.338668
H 1.430712 -3.991707 0.806907
H -7.204666 0.447779 1.709690
H -5.610195 1.042753 2.172033
H 2.778128 -5.505817 -2.771789
H -6.809303 4.102606 -0.323230
H 1.099667 -5.884453 -1.038054
H -7.401459 2.957168 1.750956
H 2.343419 -2.296896 -0.800809
H -3.782767 2.385984 0.932222
H 1.190151 3.776628 0.504242
H 2.560598 3.282273 1.528825
H 3.197071 3.353901 -0.867374
H 1.926858 2.168817 -1.288690
H 0.484831 2.213852 2.329592
H 1.645149 0.984712 1.769164
H 2.138298 0.012118 -0.639277
H -1.533530 2.292256 1.434890


