%chk=000240784.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240784

0 1
O 0.671441 1.486868 -0.325613
O -3.102273 -1.459940 0.756078
N 2.032657 -0.350029 -0.089561
N -1.203762 -0.494879 -0.173962
N 3.268117 -2.304819 -0.028871
N -0.840948 -2.847778 -0.185418
N 1.354967 -3.893060 -0.095336
C 3.010813 1.934341 0.043682
C 2.620469 3.420678 0.050949
C 1.096228 -1.428760 -0.121792
C 1.792545 1.063569 -0.139895
C 3.852287 4.318293 0.219755
C -4.775774 0.720136 0.193841
C -3.321461 0.717619 -0.294798
C -0.323215 -1.581417 -0.149384
C -5.526763 1.966501 -0.290029
C 1.887461 -2.642359 -0.084187
C -2.609485 -0.539601 0.161226
C 3.331256 -0.982501 -0.030252
C 3.463494 5.794060 0.229458
C -6.972822 1.968403 0.199353
C -0.003818 -3.928017 -0.148580
H 3.529548 1.683459 0.995128
H 3.744990 1.748745 -0.770803
H 2.085318 3.674027 -0.887375
H 1.890074 3.614231 0.863051
H 4.381995 4.067399 1.160252
H 4.577128 4.130333 -0.597061
H -4.800508 0.660623 1.300789
H -5.289512 -0.199649 -0.155347
H -2.798143 1.625697 0.070244
H -3.292688 0.778425 -1.404111
H -5.012269 2.881675 0.063143
H -5.508038 2.015110 -1.396701
H 4.246442 -0.399787 0.004489
H -0.785526 0.422793 -0.427560
H 2.777316 6.029452 1.051802
H 2.969689 6.091774 -0.703254
H 4.345579 6.434715 0.349011
H -7.508508 2.858523 -0.149347
H -7.030379 1.958754 1.294190
H -7.523714 1.091958 -0.162536
H -0.487906 -4.921168 -0.167666


%chk=000240784-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240784

0 1
O 0.512326 1.386567 -0.231161
O -3.349310 -1.804209 -0.164067
N 1.978546 -0.409548 0.026734
N -1.235661 -0.726145 -0.289071
N 3.308877 -2.291872 0.186010
N -0.743433 -3.067843 -0.258450
N 1.518682 -3.974903 -0.005174
C 2.869723 1.937689 0.111037
C 2.446601 3.419571 0.062208
C 1.093656 -1.538168 -0.064557
C 1.693133 0.980898 -0.044648
C 3.657880 4.367986 0.208012
C -4.630832 0.798434 0.152638
C -3.270452 0.619099 -0.555567
C -0.317344 -1.769491 -0.201889
C -5.335791 2.114508 -0.244704
C 1.947910 -2.684145 0.036072
C -2.657467 -0.769443 -0.310499
C 3.287768 -0.969794 0.177020
C 3.247337 5.855234 0.162340
C -6.692055 2.297037 0.470232
C 0.167261 -4.078166 -0.160222
H 3.387160 1.723229 1.068216
H 3.608187 1.732444 -0.691241
H 1.921834 3.621954 -0.890205
H 1.713169 3.620944 0.865543
H 4.180447 4.159060 1.164111
H 4.389697 4.161880 -0.599913
H -4.480889 0.772829 1.250528
H -5.273295 -0.067388 -0.093008
H -2.566071 1.421151 -0.259599
H -3.416953 0.720966 -1.651759
H -4.676089 2.976058 -0.013327
H -5.491612 2.127176 -1.343206
H 4.169287 -0.340848 0.267925
H -0.800151 0.214624 -0.318966
H 2.537194 6.096076 0.975248
H 2.755974 6.102844 -0.796924
H 4.124625 6.517467 0.273110
H -7.183675 3.240768 0.170977
H -6.561673 2.315909 1.568570
H -7.379760 1.464977 0.229634
H -0.242459 -5.091020 -0.211009


