%chk=000107700.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107700

0 1
 O    1.953300       2.516200     -0.1514000    
 O   -2.299600       1.356400      -2.206900    
 O    3.467100       3.376700       1.300900    
 O   -4.288400       2.431600      -2.033900    
 N    1.311800      -1.337800       1.000200    
 N   -1.020400     -0.8582000       1.380900    
 N    5.476300       2.559600     -0.4092000    
 N   -3.056700       4.318000     -0.4362000    
 C   0.1529000      -1.632900       1.815200    
 C    1.608600      -1.923300     -0.2100000    
 C   -2.149900      -1.397700      0.8424000    
 C    3.213400     -0.4133000      0.3247000    
 C   -2.330900      0.8584000      0.9786000    
 C    2.804100      -1.357400     -0.6581000    
 C   -3.006000     -0.3274000      0.5746000    
 C    2.275800     -0.4239000       1.331600    
 C   -1.101100      0.4917000       1.474500    
 C   0.4078000      -1.582500       3.328500    
 C    4.424900      0.4306000      0.2813000    
 C   -2.848400       2.238800      0.8859000    
 C   0.9171000      -2.900500     -0.9348000    
 C   -2.493300      -2.726300      0.5680000    
 C    3.337700      -1.786400      -1.889700    
 C   -4.267100     -0.5935000      5.2000000E-03
 C    4.221700       1.802400     -0.4026000    
 C   -2.515700       2.956200     -0.4427000    
 C    1.465400      -3.310300      -2.153500    
 C   -3.749300      -2.966100      3.1999999E-03
 C    2.656900      -2.763200      -2.625500    
 C   -4.624200      -1.917600     -0.2746000    
 C    3.207800       2.642800      0.3554000    
 C   -3.151400       2.238800      -1.621800    
 H  -7.0799999E-02  -2.686600       1.622500    
 H    2.226700      0.1548000       2.244000    
 H  -0.2987000       1.092900       1.881100    
 H   0.5835000     -0.5621000       3.685100    
 H    1.275000      -2.192900       3.603200    
 H  -0.4628000      -1.965300       3.872900    
 H    5.229100     -0.1132000     -0.2319000    
 H    4.782100      0.5865000       1.309400    
 H   -2.442800       2.828100       1.720000    
 H   -3.937000       2.225600       1.034500    
 H  -1.3000000E-03  -3.348000     -0.5817000    
 H   -1.840000      -3.560500      0.7945000    
 H    4.264600      -1.369500      -2.273000    
 H   -4.965400      0.2090000     -0.2129000    
 H    3.882800       1.676900      -1.437600    
 H   -1.431500       3.010200     -0.5969000    
 H   0.9549000      -4.069800      -2.740100    
 H   -4.049300      -3.987400     -0.2176000    
 H    3.063900      -3.098100      -3.576000    
 H   -5.596600      -2.129000     -0.7116000    
 H    6.192100       2.027000     -0.9022000    
 H    5.351100       3.422600     -0.9375000    
 H   -2.663000       4.836500      0.3480000    
 H   -2.757300       4.808000      -1.278700    
 H    1.303400       3.064600      0.3377000    
 H   -2.713200      0.9013000      -2.971200    


%chk=000107700-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107700

0 1
O 0.880583 1.720268 -1.949077
O -1.695323 2.508196 -1.740528
O 1.522928 2.792988 0.005749
O -3.751853 3.410268 -1.188635
N 1.264964 -1.636478 1.160653
N -1.053545 -1.036717 1.624441
N 4.137396 2.747607 -1.646079
N -2.231081 4.730613 1.011899
C 0.066038 -1.931473 1.974784
C 1.872857 -2.480987 0.212428
C -1.979534 -1.258937 0.585888
C 2.941313 -0.404749 0.184004
C -2.256565 0.911436 1.395941
C 2.933794 -1.730640 -0.412551
C -2.766873 -0.061707 0.441211
C 1.920750 -0.392395 1.129403
C -1.229231 0.279990 2.090934
C 0.386460 -1.888016 3.482138
C 3.809198 0.772205 -0.183936
C -2.670359 2.349192 1.581782
C 1.601395 -3.823872 -0.132680
C -2.193983 -2.400343 -0.218081
C 3.727094 -2.355828 -1.409833
C -3.821095 -0.039446 -0.511900
C 3.234705 1.615116 -1.360392
C -2.000098 3.346015 0.572192
C 2.403909 -4.418183 -1.128296
C -3.239879 -2.347519 -1.161247
C 3.455822 -3.692445 -1.761129
C -4.051017 -1.182952 -1.300499
C 1.812279 2.095307 -1.006773
C -2.595516 3.111349 -0.823992
H -0.248730 -2.955467 1.711984
H 1.598084 0.435858 1.756732
H -0.618247 0.679703 2.897402
H 0.785172 -0.906480 3.789389
H 1.155593 -2.644301 3.710655
H -0.518727 -2.103913 4.074521
H 4.822392 0.453114 -0.487719
H 3.921395 1.446210 0.687105
H -2.365872 2.715899 2.578089
H -3.769861 2.465916 1.510591
H 0.806933 -4.403939 0.351273
H -1.569759 -3.296440 -0.137000
H 4.541576 -1.807242 -1.896724
H -4.454473 0.847548 -0.626737
H 3.159176 0.986726 -2.263055
H -0.913348 3.156553 0.546246
H 2.216965 -5.458008 -1.418964
H -3.430474 -3.216648 -1.800397
H 4.059985 -4.188210 -2.528973
H -4.864108 -1.182457 -2.034942
H 4.203312 3.410764 -0.864650
H 3.947857 3.221356 -2.535545
H -3.211100 5.027673 0.951649
H -1.584324 5.416226 0.611237
H -0.057507 2.034175 -1.718954
H -2.167742 2.319019 -2.596833


