%chk=000178877.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178877

0 1
 O   -3.130300      -2.168400      0.6127000    
 O   -2.931700       3.610000      9.4800003E-02
 O   -4.575700     -0.6939000     -0.3832000    
 O   -4.573500       2.012800      0.1948000    
 N  -0.1568000      0.6570000     -0.2028000    
 N   -1.004600       1.695500     -0.1089000    
 C    5.480100       1.183100     -0.6597000    
 C    6.208400      0.5006000      0.5001000    
 C    3.984300       1.043300     -0.5380000    
 C  -0.9690000     -0.4025000     -0.1595000    
 C    1.215700      0.7850000     -0.3137000    
 C   -2.324800     -4.3200001E-02 -3.9000001E-02
 C    7.722200      0.6796000      0.3857000    
 C    3.247500       2.006500      0.1513000    
 C    3.336600     -4.9100000E-02  -1.115000    
 C    1.863100       1.877400      0.2635000    
 C    1.952400     -0.1783000      -1.002900    
 C  -0.4433000      -1.757200     -0.2335000    
 C   -2.314900       1.329900     -8.2999999E-03
 C    8.449600      3.8500000E-02   1.556700    
 C   -3.431800     -0.9516000      3.2600001E-02
 C   0.4556000      -2.211100      0.7317000    
 C  -0.8392000      -2.602500      -1.270100    
 C   -3.362400       2.295200      0.1007000    
 C   0.9584000      -3.510300      0.6603000    
 C  -0.3365000      -3.901700      -1.341400    
 C   0.5623000      -4.355500     -0.3762000    
 C   -4.191700      -3.124200      0.7163000    
 C   -3.931100       4.630100      0.2008000    
 C   -3.661800      -4.380200       1.374500    
 C   -3.257000       5.985300      0.1756000    
 H    5.811800      0.7585000      -1.615900    
 H    5.744000       2.247900     -0.6978000    
 H    5.964300     -0.5691000      0.5177000    
 H    5.862100      0.9185000       1.454000    
 H    7.969800       1.747000      0.3520000    
 H    8.079800      0.2335000     -0.5496000    
 H    3.741400       2.860100      0.6080000    
 H    3.898300     -0.7954000      -1.670600    
 H    1.314300       2.638400      0.8128000    
 H    1.502700     -0.9940000      -1.555900    
 H    8.138700      0.4877000       2.505300    
 H    9.530400      0.1772000       1.453400    
 H    8.247800      -1.036400       1.602600    
 H   0.7648000      -1.576400       1.559100    
 H   -1.532600      -2.265600      -2.037000    
 H    1.655200      -3.865200       1.413900    
 H  -0.6440000      -4.559500      -2.149000    
 H   0.9531000      -5.367300     -0.4313000    
 H   -4.567100      -3.359700     -0.2855000    
 H   -5.002600      -2.702000       1.319900    
 H   -4.479200       4.505000       1.141000    
 H   -4.627100       4.545400     -0.6408000    
 H   -2.840800      -4.805600      0.7883000    
 H   -3.258900      -4.154400       2.367300    
 H   -4.450000      -5.131600       1.474800    
 H   -3.993300       6.790000      0.2550000    
 H   -2.688900       6.115800     -0.7512000    
 H   -2.543400       6.076100       1.001100    


%chk=000178877-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178877

0 1
O -4.043797 -1.315207 0.616229
O -3.087081 2.747145 0.699448
O -3.228260 -2.572717 -1.168404
O -4.353606 1.335174 -0.660228
N 0.063000 0.266839 -0.254582
N -0.816185 1.334336 -0.078203
C 5.694391 1.608138 -0.660612
C 6.568681 0.694822 0.245076
C 4.214339 1.272522 -0.576770
C -0.597542 -0.963005 -0.394936
C 1.467133 0.574328 -0.358602
C -1.976746 -0.656679 -0.317531
C 8.073744 1.034378 0.157677
C 3.364910 1.930294 0.350519
C 3.647466 0.267209 -1.402861
C 2.001761 1.590901 0.465388
C 2.285099 -0.080418 -1.308335
C 0.099670 -2.268123 -0.420649
C -2.054955 0.762099 -0.109047
C 8.944121 0.126418 1.052961
C -3.104743 -1.612832 -0.364492
C 1.135693 -2.539372 0.517473
C -0.269239 -3.274819 -1.352569
C -3.279199 1.602538 -0.068325
C 1.795865 -3.784515 0.513003
C 0.398390 -4.519164 -1.354270
C 1.433257 -4.778549 -0.427070
C -5.330720 -2.072041 0.545752
C -4.239511 3.699444 0.736358
C -6.281925 -1.400795 1.530681
C -3.799937 4.879274 1.596626
H 6.047589 1.508004 -1.705937
H 5.861985 2.662443 -0.365156
H 6.408601 -0.364137 -0.042360
H 6.226315 0.787873 1.295603
H 8.225525 2.095251 0.444106
H 8.406879 0.946489 -0.896771
H 3.775822 2.722609 0.987574
H 4.277503 -0.239335 -2.143766
H 1.342367 2.111363 1.165352
H 1.861046 -0.839622 -1.971338
H 8.651030 0.218354 2.115750
H 10.015212 0.388294 0.974222
H 8.833943 -0.936360 0.766032
H 1.412773 -1.779834 1.256283
H -1.085592 -3.083456 -2.053962
H 2.587135 -3.981511 1.244518
H 0.103986 -5.286338 -2.078514
H 1.947835 -5.745969 -0.431010
H -5.124590 -3.127549 0.801019
H -5.697883 -2.029752 -0.495118
H -5.114549 3.169314 1.154858
H -4.480478 3.994742 -0.301172
H -5.877881 -1.434921 2.557113
H -6.442361 -0.346117 1.249953
H -7.257896 -1.919914 1.522852
H -4.615491 5.622892 1.658316
H -2.911509 5.369683 1.163973
H -3.550689 4.548882 2.619381


