%chk=000157655.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157655

0 1
 O  -0.7162000     -0.4082000      -3.283500    
 O    1.071600     -0.1538000      0.6985000    
 O    3.071200      -1.202700      0.4965000    
 O    3.011900       1.129900      0.5289000    
 N   9.2600003E-02   1.071700      -1.629800    
 C   -5.469700      -1.294600      0.8736000    
 C   -4.225300     -0.9112000      5.5900000E-02
 C   -5.256200      -2.509800       1.804500    
 C   -5.892200     -0.1066000       1.765000    
 C   -6.629500      -1.650300     -8.1600003E-02
 C   -3.083000      -1.653800      0.2205000    
 C   -4.313300      0.1572000     -0.8008000    
 C   -2.004800     -0.2250000      -1.402100    
 C   -1.954000      -1.305000     -0.5207000    
 C   -3.184300      0.5061000      -1.542200    
 C  -0.8280000      0.1373000      -2.176200    
 C  -0.1529000       1.640900     -0.3178000    
 C    1.293000       1.466800      -2.383800    
 C   0.3498000      0.9998000      0.7810000    
 C  -0.8808000       2.799200     -0.2605000    
 C   0.1063000       1.559400       2.035300    
 C   -1.124300       3.358700      0.9938000    
 C  -0.6308000       2.738800       2.141700    
 C    2.454500      3.9500002E-02  0.5690000    
 C    4.459600      -1.116200      0.3663000    
 C    5.230500      -1.089000       1.507200    
 C    5.003000      -1.060500     -0.8978000    
 C    6.616600      -1.001500       1.377300    
 C    6.389000     -0.9731000      -1.027800    
 C    7.195800     -0.9436000      0.1098000    
 H   -6.173200      -2.738200       2.362100    
 H   -4.998000      -3.416100       1.243900    
 H   -4.475400      -2.322800       2.551100    
 H   -5.075800      0.1966000       2.431300    
 H   -6.752500     -0.3700000       2.391500    
 H   -6.183000      0.7726000       1.179800    
 H   -6.349000      -2.468600     -0.7554000    
 H   -6.934400     -0.8016000     -0.7036000    
 H   -7.517100      -1.969500      0.4775000    
 H   -2.987900      -2.500300      0.8882000    
 H   -5.219200      0.7400000     -0.9262000    
 H   -1.041700      -1.885000     -0.4073000    
 H   -3.236100       1.348400      -2.227600    
 H    2.030300      0.6636000      -2.301800    
 H    1.029400       1.591600      -3.438000    
 H    1.702700       2.401100      -1.990900    
 H   -1.264000       3.284800      -1.152300    
 H   0.4865000       1.081600       2.934200    
 H   -1.698200       4.277000       1.076600    
 H  -0.8207000       3.174300       3.118300    
 H    4.779500      -1.134500       2.493500    
 H    4.375100      -1.083500      -1.782900    
 H    7.244600     -0.9787000       2.263100    
 H    6.840000     -0.9279000      -2.014700    
 H    8.275000     -0.8755000      8.5000005E-03


%chk=000157655-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157655

0 1
O 0.792776 -0.345292 -2.279440
O 0.663625 1.000654 1.290763
O 2.241989 -0.548576 1.184529
O 2.742823 1.597933 0.336167
N 0.279241 1.792219 -1.500592
C -4.831045 -1.952520 0.821255
C -3.552392 -1.343486 0.199624
C -4.601057 -3.387207 1.361177
C -5.302422 -1.055583 2.006348
C -5.953500 -2.010492 -0.259301
C -2.319763 -2.044577 0.130858
C -3.586658 -0.026403 -0.337756
C -1.214548 -0.136627 -0.947431
C -1.173422 -1.457929 -0.441988
C -2.442216 0.572733 -0.896121
C 0.018101 0.410232 -1.604293
C -0.181571 2.607601 -0.408759
C 1.324184 2.381623 -2.378271
C 0.051752 2.245088 0.947444
C -0.826936 3.843501 -0.659344
C -0.396076 3.046470 2.012136
C -1.258820 4.667741 0.400170
C -1.055392 4.264436 1.740645
C 1.979539 0.772351 0.861327
C 3.456879 -1.139430 0.674816
C 4.387792 -1.610194 1.617260
C 3.619111 -1.314604 -0.713371
C 5.542281 -2.277107 1.146446
C 4.781537 -1.979308 -1.164303
C 5.741925 -2.458863 -0.241909
H -5.541248 -3.773090 1.796106
H -4.292527 -4.083618 0.559740
H -3.831842 -3.406677 2.155142
H -4.525801 -1.001438 2.790909
H -6.222891 -1.472718 2.456732
H -5.523025 -0.024763 1.676427
H -5.647193 -2.644353 -1.111471
H -6.194852 -1.007356 -0.653869
H -6.877814 -2.435718 0.175197
H -2.245452 -3.061084 0.527095
H -4.522886 0.543281 -0.323047
H -0.232437 -2.014137 -0.500444
H -2.509142 1.582932 -1.311728
H 2.233657 2.601965 -1.793930
H 1.566149 1.643937 -3.157864
H 0.945925 3.308157 -2.843721
H -1.006444 4.141424 -1.698139
H -0.211022 2.710273 3.036691
H -1.762379 5.615013 0.180826
H -1.399153 4.893619 2.567793
H 4.206389 -1.458232 2.685442
H 2.855603 -0.957082 -1.414446
H 6.280390 -2.651505 1.863813
H 4.929354 -2.128176 -2.239241
H 6.637903 -2.975241 -0.602993


