%chk=000170726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170726

0 1
 O    5.064600       2.215700     -0.3404000    
 O    3.046400      -2.482200      0.1228000    
 O   -4.230100       1.768700       1.345500    
 O    6.089400      0.7426000      -1.795300    
 O    2.268300      -4.548500      0.8023000    
 N    2.029700      0.1459000     -0.2830000    
 N   -2.796100      0.4358000      5.2299999E-02
 C    3.348800      0.5973000      0.1135000    
 C    1.911200     -0.8982000      -1.281200    
 C   0.8761000      0.7249000      0.2854000    
 C    3.785400       1.759500     -0.7621000    
 C    1.846300      -2.257600     -0.6062000    
 C  -0.3894000      0.2938000     -0.1123000    
 C    1.000900       1.729100       1.245500    
 C   -1.510700      0.8734000      0.4560000    
 C  -0.1398000       2.302200       1.807800    
 C   -1.405300       1.871000       1.410000    
 C   -4.049100      0.8825000      0.4948000    
 C   -5.202900      0.2178000     -8.9599997E-02
 C    6.137300       1.618400     -0.9422000    
 C    3.125700      -3.675800      0.7851000    
 C   -6.421100      0.8903000     -0.1853000    
 C   -5.091200      -1.092700     -0.5542000    
 C    7.410800       2.195800     -0.4030000    
 C    4.437100      -3.773500       1.504000    
 C   -7.527900      0.2525000     -0.7456000    
 C   -6.198000      -1.730500      -1.114700    
 C   -7.416300      -1.058000      -1.210200    
 H    4.076700     -0.2118000     -2.9100001E-02
 H    3.447000      0.8166000       1.182500    
 H    2.811600     -0.8795000      -1.910600    
 H    1.089100     -0.7446000      -1.987000    
 H    3.097300       2.605200     -0.6565000    
 H    3.780700       1.496800      -1.827300    
 H    1.743200      -3.033800      -1.373500    
 H   0.9893000      -2.320000      7.4100003E-02
 H  -0.5444000     -0.4946000     -0.8400000    
 H    1.951900       2.121400       1.586900    
 H  -4.2100001E-02   3.086900       2.552700    
 H   -2.237000       2.363800       1.890300    
 H   -2.770700     -0.2677000     -0.6807000    
 H   -6.528400       1.913400      0.1660000    
 H   -4.176100      -1.670500     -0.4662000    
 H    7.473400       2.014000      0.6729000    
 H    7.451300       3.266900     -0.6159000    
 H    8.262900       1.711400     -0.8883000    
 H    4.488300      -4.726700       2.038000    
 H    5.258000      -3.732500      0.7837000    
 H    4.521800      -2.962000       2.231100    
 H   -8.476400      0.7761000     -0.8209000    
 H   -6.114300      -2.754000      -1.468600    
 H   -8.278400      -1.555300      -1.644800    


%chk=000170726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170726

0 1
O 5.283161 2.279622 -0.253961
O 2.968474 -2.554697 0.036748
O -4.346166 2.014997 1.116001
O 6.184343 0.667090 -1.682030
O 2.023598 -4.622029 0.543826
N 2.040602 0.303236 -0.296369
N -2.826517 0.551974 0.075987
C 3.396119 0.697153 0.118676
C 1.931927 -0.790913 -1.271262
C 0.896874 0.923876 0.246153
C 3.916022 1.898221 -0.706817
C 1.700761 -2.177426 -0.651413
C -0.415360 0.470093 -0.075911
C 1.009816 2.035106 1.141106
C -1.568597 1.099951 0.461793
C -0.145170 2.641702 1.667816
C -1.446229 2.202184 1.345345
C -4.110633 0.976663 0.423875
C -5.231452 0.115285 -0.107775
C 6.347860 1.569733 -0.829798
C 2.991438 -3.832561 0.615371
C -6.505723 0.723255 -0.245582
C -5.083144 -1.260344 -0.430321
C 7.666364 2.063663 -0.278023
C 4.304495 -4.074154 1.325685
C -7.604251 -0.018795 -0.725083
C -6.185580 -2.004649 -0.905356
C -7.446682 -1.384447 -1.061763
H 4.070601 -0.162006 -0.029051
H 3.417109 0.943132 1.195365
H 2.863844 -0.828394 -1.863658
H 1.112100 -0.585051 -1.986597
H 3.309735 2.802496 -0.544943
H 3.946783 1.642891 -1.780882
H 1.477841 -2.935891 -1.425297
H 0.883596 -2.175945 0.090812
H -0.558058 -0.387992 -0.742362
H 1.988661 2.433524 1.420383
H -0.028830 3.493175 2.348055
H -2.337596 2.683545 1.746620
H -2.777679 -0.236321 -0.572901
H -6.608350 1.775506 0.038749
H -4.128801 -1.777876 -0.269504
H 7.703910 1.905657 0.813888
H 7.770267 3.147942 -0.454807
H 8.495454 1.525911 -0.759545
H 4.487745 -5.156108 1.404918
H 5.135603 -3.579598 0.798984
H 4.251465 -3.654685 2.347097
H -8.581956 0.463105 -0.833777
H -6.064284 -3.067959 -1.139351
H -8.300712 -1.963147 -1.430615


