%chk=000156408.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156408

0 1
 O   -1.473300      -1.078500      -2.688200    
 O   0.4040000      -1.967800     -0.9853000    
 N   0.5323000      0.1137000      7.7600002E-02
 N    4.211800     -0.5383000      0.3621000    
 C    1.834100     -9.8899998E-02  0.7271000    
 C    2.926300     -0.3588000     -0.3000000    
 C  -0.1485000       1.376500      0.2850000    
 C    4.157400      -1.661600       1.299900    
 C    5.274600     -0.7512000     -0.6225000    
 C  -8.2400002E-02 -0.8585000     -0.7387000    
 C   0.1048000       2.399900     -0.5905000    
 C   -1.010400       1.480600       1.345500    
 C   -1.418000     -0.4881000      -1.392300    
 C    5.471500      -1.817900       2.046200    
 C    5.349900      0.4034000      -1.607200    
 C  -0.5512000       3.614700     -0.3914000    
 C   -1.666400       2.695400       1.544500    
 C   -2.616000      -1.004800     -0.6286000    
 C    1.047700       2.272600      -1.743100    
 C   -1.278000      0.3557000       2.292400    
 C   -1.436700       3.762400      0.6762000    
 C   -3.805800     -0.2978000     -0.6765000    
 C   -2.499700      -2.175000      0.1029000    
 C   -4.911500     -0.7745000      2.7899999E-02
 C   -3.605500      -2.651700      0.8072000    
 C   -4.811200      -1.951400      0.7696000    
 H    1.661100     -0.9666000       1.369900    
 H    2.075100      0.7633000       1.360400    
 H    2.695200      -1.227200     -0.9263000    
 H    2.952400      0.5089000     -0.9595000    
 H    3.421100      -1.485900       2.088600    
 H    3.895200      -2.603200      0.8015000    
 H    6.252700     -0.7852000     -0.1319000    
 H    5.144500      -1.693500      -1.169600    
 H   -1.520800      0.5833000      -1.561300    
 H    5.334000      -2.500000       2.893100    
 H    5.825300     -0.8635000       2.451100    
 H    6.257900      -2.253600       1.422200    
 H    6.290100      0.3443000      -2.167600    
 H    5.335500       1.374300      -1.100000    
 H    4.546300      0.3748000      -2.349700    
 H  -0.3810000       4.456100      -1.058100    
 H   -2.358600       2.822200       2.372900    
 H    2.067100       2.502400      -1.419700    
 H   0.7851000       2.980900      -2.537700    
 H    1.019100       1.282700      -2.206100    
 H   -2.357000      0.1938000       2.389800    
 H  -0.8776000      0.6086000       3.280500    
 H  -0.8340000     -0.5982000       2.002000    
 H   -1.947100       4.708400      0.8315000    
 H   -3.894000      0.6193000      -1.251500    
 H   -1.588700      -2.759700      0.1485000    
 H  -0.7793000     -0.6614000      -3.227100    
 H   -5.850300     -0.2292000     -1.2000001E-03
 H   -3.529000      -3.569800       1.382600    
 H   -5.672200      -2.322900       1.317500    


%chk=000156408-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156408

0 1
O -1.546541 -1.978170 -2.563429
O 0.500688 -2.213155 -0.875017
N 0.442853 0.010686 -0.190071
N 4.159862 -0.623099 0.364313
C 1.728136 -0.185098 0.542356
C 2.977170 -0.124117 -0.374382
C -0.178869 1.325787 -0.184446
C 4.282375 -2.108085 0.300142
C 5.422601 0.087022 0.032993
C -0.096158 -1.080513 -0.835863
C -0.072975 2.162114 -1.335308
C -0.848624 1.759106 0.997865
C -1.495681 -0.975114 -1.499757
C 4.984430 -2.703825 1.534915
C 5.493985 1.500171 0.642900
C -0.660898 3.450864 -1.281347
C -1.415837 3.056717 1.009088
C -2.602533 -1.188328 -0.462107
C 0.631746 1.705334 -2.601199
C -0.979437 0.855819 2.209520
C -1.325027 3.898921 -0.119748
C -3.602605 -0.206374 -0.267774
C -2.656688 -2.392147 0.286337
C -4.645582 -0.420003 0.662273
C -3.696562 -2.605749 1.216584
C -4.695112 -1.620219 1.407557
H 1.693563 -1.175432 1.028313
H 1.811548 0.588797 1.322282
H 2.777634 -0.716526 -1.297344
H 3.155588 0.922585 -0.680270
H 3.262874 -2.529449 0.224153
H 4.816932 -2.424026 -0.630491
H 6.257258 -0.513045 0.439027
H 5.583849 0.142996 -1.073712
H -1.637129 0.004428 -1.984017
H 5.038179 -3.805684 1.454184
H 4.427696 -2.442285 2.451779
H 6.017189 -2.325493 1.646599
H 6.455059 1.984606 0.387468
H 5.405575 1.443784 1.741822
H 4.682738 2.152165 0.269799
H -0.588248 4.104988 -2.157959
H -1.938510 3.400402 1.909047
H 1.623236 1.270056 -2.389084
H 0.767319 2.552067 -3.294813
H 0.056716 0.927453 -3.138902
H -1.654181 1.303405 2.958133
H -0.004452 0.677620 2.700783
H -1.386734 -0.132322 1.930322
H -1.769708 4.899954 -0.094699
H -3.566088 0.725413 -0.845675
H -1.886893 -3.157990 0.136450
H -0.881030 -2.679363 -2.301259
H -5.418670 0.344325 0.800550
H -3.732903 -3.539272 1.789687
H -5.505224 -1.789201 2.126031


