%chk=000158753.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158753

0 1
 O    3.708100       1.223400     -0.2345000    
 O    7.424800       1.457600      -1.221100    
 O    6.413300     -0.4565000      -1.934300    
 O   -2.964800     -0.4847000      -2.005100    
 N    5.041900     -0.5506000      0.4217000    
 N    1.464100      3.9299998E-02  7.5900003E-02
 N   -2.212500     -0.5894000      0.1854000    
 C    6.306000      0.1735000      0.3973000    
 C    7.278800     -0.7196000       1.158400    
 C    6.734400      -2.125100      0.9155000    
 C    5.227400      -1.918400      0.8995000    
 C    3.826000      6.5200001E-02  0.1689000    
 C    6.699800      0.3266000      -1.041100    
 C    2.604500     -0.7859000      0.4087000    
 C   -1.014200      0.2000000     -1.2900000E-02
 C   0.2099000     -0.6798000      0.2809000    
 C   -1.045600       1.469300      0.8603000    
 C   -2.265100       2.326100      0.6113000    
 C   -3.094700     -0.8657000     -0.8447000    
 C   -2.212300       3.315000     -0.3573000    
 C   -3.411900       2.106300       1.356400    
 C   -4.290100      -1.665700     -0.4729000    
 C   -3.337900       4.106100     -0.5872000    
 C   -4.537500       2.897400       1.126400    
 C   -4.500600       3.897400      0.1546000    
 C   -5.444800      -1.524000      -1.214200    
 C   -4.206400      -2.526600      0.6018000    
 C   -6.565900      -2.276900     -0.8653000    
 C   -5.327600      -3.279600      0.9507000    
 C   -6.507300      -3.154800      0.2171000    
 H    6.173900       1.159300      0.8558000    
 H    8.318300     -0.6165000      0.8330000    
 H    7.229200     -0.4929000       2.230400    
 H    7.074800      -2.494200     -5.9200000E-02
 H    7.051800      -2.842100       1.677800    
 H    4.807300      -1.984100       1.908900    
 H    4.712100      -2.631400      0.2502000    
 H    2.580500      -1.084300       1.461900    
 H    2.647900      -1.672700     -0.2319000    
 H  -0.9695000      0.5097000      -1.065200    
 H   0.1524000      -1.037500       1.317500    
 H   0.1789000      -1.566800     -0.3655000    
 H    1.521100      0.3412000     -0.8968000    
 H   -1.017000       1.193300       1.923400    
 H  -0.1475000       2.076800      0.6910000    
 H   -2.409600     -0.8822000       1.136200    
 H    7.693900       1.575200      -2.157200    
 H   -1.312200       3.483000     -0.9415000    
 H   -3.451600       1.332800       2.117900    
 H   -3.309300       4.884200      -1.344500    
 H   -5.442600       2.734900       1.704200    
 H   -5.377100       4.513100     -2.4599999E-02
 H   -5.508500     -0.8413000      -2.056200    
 H   -3.298800      -2.682000       1.175500    
 H   -7.485000      -2.179200      -1.435700    
 H   -5.280000      -3.969500       1.788100    
 H   -7.379800      -3.742200      0.4877000    


%chk=000158753-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158753

0 1
O 3.583309 0.747189 -1.082870
O 7.133103 0.396122 -2.521949
O 6.016799 -1.586883 -2.042458
O -2.009721 -1.329246 -1.881814
N 5.012961 -0.353100 0.365745
N 1.335461 0.018130 0.292903
N -2.391749 -0.556458 0.275427
C 6.203132 0.195900 -0.311140
C 7.363864 -0.190220 0.652431
C 6.877295 -1.522750 1.279035
C 5.352825 -1.310897 1.451265
C 3.752166 -0.038773 -0.095381
C 6.393832 -0.450459 -1.690474
C 2.566093 -0.704035 0.616938
C -1.130101 0.210467 0.327739
C 0.086839 -0.737592 0.490139
C -1.187399 1.249330 1.476952
C -2.268520 2.306010 1.308686
C -2.761334 -1.269349 -0.854458
C -2.203778 3.244126 0.244197
C -3.366292 2.379728 2.204392
C -4.102257 -1.959697 -0.809897
C -3.207217 4.222652 0.078949
C -4.374810 3.358769 2.043251
C -4.299077 4.283433 0.977752
C -4.687638 -2.328544 -2.047859
C -4.780128 -2.273580 0.397470
C -5.939581 -2.976458 -2.081962
C -6.032256 -2.926262 0.363403
C -6.618346 -3.273399 -0.876001
H 6.109289 1.283143 -0.461331
H 8.330137 -0.279616 0.130319
H 7.461360 0.594063 1.424489
H 7.062052 -2.359141 0.582912
H 7.375057 -1.749329 2.236303
H 5.114714 -0.874826 2.442165
H 4.787803 -2.253348 1.340159
H 2.733043 -0.721058 1.713577
H 2.551799 -1.775960 0.283285
H -1.016400 0.734348 -0.644423
H 0.081265 -1.158074 1.516046
H -0.030263 -1.585173 -0.222379
H 1.418112 0.453588 -0.638755
H -1.329804 0.710746 2.436105
H -0.181391 1.707394 1.514114
H -3.096062 -0.351581 0.986723
H 7.257304 -0.036036 -3.410105
H -1.358139 3.211249 -0.454122
H -3.422997 1.676501 3.046226
H -3.138419 4.939530 -0.747161
H -5.213448 3.400440 2.747760
H -5.077807 5.043583 0.849684
H -4.135181 -2.100000 -2.965194
H -4.325150 -2.047654 1.369504
H -6.385828 -3.251604 -3.043931
H -6.544871 -3.171967 1.300071
H -7.590249 -3.778873 -0.901051


