%chk=000178565.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178565

0 1
 O  -0.6302000      -1.485400       1.278400    
 O   -4.767100     -0.5787000      0.3581000    
 O   -3.625900     -0.5135000      -1.633900    
 N   0.9470000     -0.5336000     -0.1334000    
 N   -2.609800      5.4000001E-02  0.3736000    
 C   -1.299100      0.3687000     -0.1356000    
 C  -0.8708000       1.823300      0.1524000    
 C  -0.3131000     -0.6479000      0.4363000    
 C    2.047300      -1.405200      0.2086000    
 C   -1.828800       2.861300     -0.4417000    
 C  -0.7131000       2.062700       1.657200    
 C    3.376100     -0.6953000      6.3500002E-02
 C    1.982800      -2.696600     -0.6044000    
 C   -3.663400     -0.3605000     -0.4175000    
 C    4.156700     -0.4874000       1.187000    
 C    3.781000     -0.2702000      -1.189600    
 C    5.806000      0.6021000     -0.2019000    
 C    5.381500      0.1666000       1.053400    
 C    5.005900      0.3838000      -1.323300    
 C   -6.030800     -0.3571000     -0.2779000    
 C    7.115000       1.302000     -0.3449000    
 C   -6.098900       1.080900     -0.7691000    
 C   -7.148100     -0.6738000      0.7046000    
 H   -1.306700      0.2227000      -1.223700    
 H   0.1103000       2.001300     -0.3056000    
 H    1.913400      -1.689900       1.260700    
 H   -1.443400       3.875200     -0.2899000    
 H   -2.820200       2.807300      2.0099999E-02
 H   -1.945800       2.705100      -1.519100    
 H   2.8800000E-02   1.392200       2.101800    
 H  -0.3709000       3.086900       1.844500    
 H   -1.658900       1.931900       2.192800    
 H    1.085900      0.1413000     -0.8797000    
 H   -2.765500      0.1015000       1.376100    
 H    1.052200      -3.238200     -0.4007000    
 H    2.011700      -2.505800      -1.683000    
 H    2.818600      -3.360400     -0.3570000    
 H    3.837700     -0.8215000       2.169900    
 H    3.169000     -0.4282000      -2.072500    
 H    5.996700      0.3296000       1.934400    
 H    5.326100      0.7178000      -2.306700    
 H   -6.123200      -1.045000      -1.127500    
 H    7.910300      0.5753000     -0.5384000    
 H    7.089800       2.022800      -1.169200    
 H    7.364800       1.862400      0.5625000    
 H   -5.874600       1.782000      4.2800002E-02
 H   -5.381600       1.284300      -1.569600    
 H   -7.095200       1.312600      -1.160000    
 H   -7.079900     -3.5300002E-02   1.592300    
 H   -7.065400      -1.708300       1.054800    
 H   -8.132800     -0.5367000      0.2478000    


%chk=000178565-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178565

0 1
O -0.609386 -1.197677 1.519528
O -4.803672 -0.264492 0.172883
O -3.664145 0.723969 -1.647819
N 0.978010 -0.474209 -0.016552
N -2.597295 0.230778 0.389085
C -1.249904 0.601166 -0.044625
C -0.832425 2.055085 0.386011
C -0.275438 -0.445338 0.547293
C 2.059004 -1.368113 0.489762
C -1.782133 3.102071 -0.238394
C -0.767128 2.209236 1.922134
C 3.416760 -0.758950 0.141965
C 1.866042 -2.810789 -0.036618
C -3.673002 0.275001 -0.467230
C 4.215325 -0.162875 1.148231
C 3.901333 -0.747584 -1.191719
C 5.950653 0.434305 -0.496681
C 5.462396 0.421099 0.835011
C 5.144482 -0.156443 -1.504224
C -6.078634 -0.248578 -0.621459
C 7.305200 1.035539 -0.829373
C -6.718418 1.144260 -0.522451
C -6.934821 -1.368674 -0.024812
H -1.229734 0.559536 -1.151792
H 0.186606 2.221256 -0.026238
H 1.938981 -1.394182 1.589072
H -1.410334 4.123523 -0.035762
H -2.794131 3.016155 0.196748
H -1.879638 2.969427 -1.330227
H -0.033878 1.521441 2.380518
H -0.482731 3.242925 2.190597
H -1.755457 2.002262 2.372405
H 1.198753 0.152338 -0.793748
H -2.663236 -0.319086 1.252713
H 0.875376 -3.185607 0.270863
H 1.932357 -2.854366 -1.138175
H 2.641473 -3.476284 0.382565
H 3.856454 -0.155203 2.184760
H 3.313933 -1.211532 -1.993917
H 6.063538 0.874099 1.632820
H 5.498027 -0.156901 -2.542690
H -5.810165 -0.463664 -1.672757
H 8.106284 0.274682 -0.753315
H 7.330213 1.435089 -1.858450
H 7.565763 1.855427 -0.137272
H -6.925895 1.400363 0.531972
H -6.050490 1.907572 -0.955749
H -7.672842 1.163391 -1.080526
H -7.154636 -1.165805 1.038324
H -6.413623 -2.338720 -0.093415
H -7.892373 -1.443823 -0.571471


