%chk=000131921.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131921

0 1
 O   5.2299999E-02  2.8000001E-02  -1.760300    
 O    3.685800      -2.858000     -0.5241000    
 O    1.648600      -3.412600      0.3870000    
 N   0.7529000     -0.8068000      0.2973000    
 N   -1.430900      0.5355000       1.302700    
 C   -1.580000     -0.1494000      2.1100000E-02
 C   0.3208000      -1.232700       1.620100    
 C    2.117800      -1.094500     -0.1082000    
 C  -0.6168000     -0.2106000       2.261700    
 C  -0.1845000     -0.2761000     -0.5925000    
 C   -2.516600      0.6519000     -0.8780000    
 C    3.126600     -0.2586000      0.6934000    
 C   -3.960300      0.3848000     -0.5524000    
 C    2.437700      -2.582500     -5.2499998E-02
 C    3.221800       1.190600      0.2725000    
 C   -4.630100     -0.6446000      -1.200900    
 C   -4.605900       1.171100      0.3928000    
 C    4.130900       1.553000     -0.7072000    
 C    2.397900       2.125900      0.8757000    
 C   -5.969200     -0.8923000     -0.8984000    
 C   -5.945100      0.9235000      0.6951000    
 C    4.218500       2.890100      -1.095400    
 C    2.485500       3.463000      0.4876000    
 C   -6.626900     -0.1083000      4.9800001E-02
 C    3.395600       3.845100     -0.4981000    
 C    4.073400      -4.235300     -0.4888000    
 H   -1.977600      -1.163700      0.1617000    
 H  -0.2249000      -2.175600       1.490500    
 H    1.169100      -1.427700       2.282300    
 H    2.212100     -0.8334000      -1.170700    
 H  -2.8800000E-02  0.5171000       2.831600    
 H   -1.261700     -0.7242000       2.984400    
 H   -2.334300      0.7442000       1.721900    
 H   -2.357300      0.3976000      -1.934600    
 H   -2.305300       1.729000     -0.8202000    
 H    4.132600     -0.6904000      0.6020000    
 H    2.925000     -0.3013000       1.770700    
 H   -4.127200      -1.263000      -1.939100    
 H   -4.091500       1.985200      0.8954000    
 H    4.773600      0.8161000      -1.180000    
 H    1.689900       1.841400       1.647200    
 H   -6.499800      -1.696000      -1.400700    
 H   -6.457700       1.535700       1.431200    
 H    4.926600       3.187400      -1.863300    
 H    1.845600       4.206600      0.9535000    
 H   -7.669500     -0.3008000      0.2849000    
 H    3.463700       4.886100     -0.8004000    
 H    3.400800      -4.834100      -1.110400    
 H    5.086600      -4.313600     -0.8920000    
 H    4.076600      -4.601300      0.5424000    


%chk=000131921-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131921

0 1
O 0.183503 -0.304381 -1.847866
O 3.924609 -2.812425 -0.438793
O 1.840513 -3.621995 0.203457
N 0.792357 -0.998715 0.300290
N -1.506857 0.195525 1.256987
C -1.559274 -0.421721 -0.087704
C 0.295932 -1.474836 1.611848
C 2.197896 -1.168601 -0.093532
C -0.632043 -0.429583 2.272258
C -0.129082 -0.559562 -0.645449
C -2.433797 0.439289 -1.034447
C 3.181327 -0.273614 0.735092
C -3.893749 0.451519 -0.607956
C 2.588279 -2.656470 -0.069781
C 3.115253 1.195247 0.340825
C -4.732164 -0.665061 -0.870665
C -4.448565 1.562276 0.080419
C 4.111538 1.742748 -0.508470
C 2.066163 2.040581 0.785389
C -6.081567 -0.674153 -0.455019
C -5.800051 1.558020 0.498579
C 4.063870 3.098062 -0.904836
C 2.014919 3.395744 0.390633
C -6.621079 0.438170 0.234149
C 3.013555 3.930748 -0.455162
C 4.408339 -4.213115 -0.528719
H -1.995129 -1.456416 -0.072438
H -0.233549 -2.435876 1.472895
H 1.155048 -1.679082 2.271655
H 2.249122 -0.848747 -1.154646
H -0.019714 0.350831 2.769644
H -1.206062 -0.950617 3.070455
H -2.438868 0.453570 1.598802
H -2.317391 0.030837 -2.053562
H -2.014930 1.460899 -1.042731
H 4.200184 -0.661615 0.567017
H 2.954427 -0.402279 1.811474
H -4.325035 -1.525173 -1.417488
H -3.819163 2.440018 0.273527
H 4.929586 1.101646 -0.860499
H 1.277737 1.640060 1.431527
H -6.714590 -1.541897 -0.673592
H -6.211409 2.427882 1.023541
H 4.843287 3.503116 -1.560308
H 1.194209 4.031983 0.740845
H -7.669444 0.434136 0.553135
H 2.973404 4.982347 -0.760838
H 3.826399 -4.765397 -1.285146
H 5.463063 -4.126245 -0.823741
H 4.305391 -4.716179 0.447244


