%chk=000227818.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227818

0 1
O -2.520698 2.788816 -0.823898
O -0.424347 -0.540076 1.610522
O 2.559829 -2.893919 -1.359423
O 1.076112 -1.380758 -1.746490
N -1.222187 1.340797 0.473009
N 1.434050 1.090286 -0.951157
N 2.152648 -1.746480 -1.261966
C -0.069059 2.230491 0.707730
C 0.811557 2.369217 -0.554583
C -3.226822 0.475458 -0.337638
C -2.575221 -0.555671 0.398745
C -2.369197 1.706817 -0.319823
C -1.276066 -0.030485 0.934056
C -4.446128 0.259754 -0.941152
C -3.137918 -1.806313 0.528020
C 2.559033 0.577806 -0.341557
C -5.028863 -1.024211 -0.807007
C -4.391149 -2.030793 -0.092845
C 2.958379 -0.779475 -0.549020
C 3.408708 1.413024 0.455359
C 4.191047 -1.239069 -0.007060
C 4.590866 0.930358 0.969226
C 4.998029 -0.405693 0.733626
H -0.443390 3.236933 1.009393
H 0.526242 1.819804 1.559479
H 0.194354 2.728747 -1.415120
H 1.588108 3.149835 -0.382124
H 0.805267 0.438550 -1.459408
H -4.949148 1.045287 -1.506664
H -2.638034 -2.601884 1.083349
H -5.993688 -1.216716 -1.279632
H -4.852908 -3.016109 -0.005318
H 3.112854 2.443300 0.641592
H 4.477249 -2.282549 -0.192895
H 5.232361 1.579391 1.570177
H 5.939131 -0.761770 1.145294


%chk=000227818-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227818

0 1
O -2.457788 2.682683 -1.133761
O -0.496749 -0.317245 1.920090
O 2.935646 -2.685987 -2.102396
O 1.366992 -1.066753 -2.420888
N -1.211633 1.396908 0.428419
N 1.436577 1.120559 -0.993268
N 2.435332 -1.532607 -1.803320
C -0.094192 2.325849 0.615437
C 0.822699 2.398646 -0.638891
C -3.188130 0.432020 -0.336275
C -2.593113 -0.473756 0.576754
C -2.312395 1.641665 -0.443182
C -1.320668 0.130158 1.086590
C -4.397652 0.133877 -0.980457
C -3.188854 -1.707789 0.875842
C 2.537032 0.566800 -0.378607
C -5.008256 -1.113152 -0.685198
C -4.413162 -2.019534 0.228448
C 3.059296 -0.727846 -0.763830
C 3.239296 1.250090 0.671165
C 4.209524 -1.277618 -0.136225
C 4.371988 0.695568 1.275863
C 4.870418 -0.577075 0.877252
H -0.493750 3.336013 0.819998
H 0.467941 1.972216 1.497265
H 0.216498 2.734105 -1.497102
H 1.593456 3.173826 -0.464707
H 1.025002 0.525116 -1.731567
H -4.846783 0.840044 -1.685656
H -2.719053 -2.401585 1.579785
H -5.951962 -1.382643 -1.171123
H -4.905742 -2.975762 0.434142
H 2.880754 2.227194 1.005846
H 4.550177 -2.259874 -0.473751
H 4.877814 1.252196 2.072674
H 5.754441 -1.003608 1.359433


