%chk=000089890.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089890

0 1
 O   -3.291800       1.765800      -1.628000    
 N   -3.488500      0.5765000      0.3565000    
 N   -1.213500      -3.131700     -1.3500000E-02
 C    1.227700       1.493900      0.8084000    
 C    2.344900       1.170400     -0.1874000    
 C  -8.9599997E-02   1.891300      0.1331000    
 C    3.640900      0.7040000      0.4842000    
 C   -1.187400       2.288400       1.126100    
 C    4.735900      0.3089000     -0.5093000    
 C   -2.463600       2.752000      0.4234000    
 C    6.006000     -0.1375000      0.2166000    
 C   -3.095800      -1.649300     -0.6450000    
 C   -4.113400     -0.6001000     -0.2017000    
 C   -3.127000       1.671600     -0.4147000    
 C   -2.170000      -2.143400      0.4703000    
 C    7.085500     -0.5685000     -0.7636000    
 C  -0.6687000      -3.910200       1.100300    
 C  -0.1316000      -2.482100     -0.7556000    
 H    1.049200      0.6219000       1.449700    
 H    1.559100       2.307900       1.464600    
 H    1.996600      0.3872000     -0.8722000    
 H    2.553300       2.056200     -0.7997000    
 H  -0.4336000       1.053300     -0.4851000    
 H   9.8899998E-02   2.731100     -0.5473000    
 H    3.418400     -0.1537000       1.131400    
 H    4.012100       1.504400       1.136200    
 H  -0.8212000       3.109800       1.754000    
 H   -1.389700       1.447800       1.799000    
 H    4.963300       1.159800      -1.162700    
 H    4.371100     -0.5030000      -1.149900    
 H   -3.190700       3.092700       1.170300    
 H   -2.247800       3.607000     -0.2279000    
 H    6.387800      0.6818000      0.8368000    
 H    5.777500     -0.9736000      0.8877000    
 H   -3.639200      -2.502600      -1.070300    
 H   -2.506900      -1.214700      -1.460800    
 H   -4.770400      -1.013500      0.5708000    
 H   -4.737500     -0.3063000      -1.052800    
 H   -1.656400      -1.305400      0.9586000    
 H   -2.815300      -2.595700       1.235500    
 H   -3.340000      0.5967000       1.360600    
 H    6.746100      -1.410000      -1.376000    
 H    7.984400     -0.8822000     -0.2238000    
 H    7.359800      0.2543000      -1.431500    
 H   -1.467100      -4.449100       1.622600    
 H  -0.1435000      -3.279300       1.826700    
 H   3.0600000E-02  -4.670000      0.7335000    
 H  -0.4990000      -1.975200      -1.652700    
 H   0.5885000      -3.229600      -1.108600    
 H   0.4125000      -1.753500     -0.1433000    


%chk=000089890-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089890

0 1
O -3.709522 1.687814 -1.466289
N -3.438892 0.585553 0.559850
N -1.001818 -3.128281 -0.155967
C 1.134360 1.658300 0.842039
C 2.202079 1.070496 -0.108031
C -0.186789 2.014709 0.124835
C 3.523420 0.703675 0.604227
C -1.254432 2.601306 1.075617
C 4.583294 0.102147 -0.346289
C -2.604013 2.906215 0.373027
C 5.910399 -0.253846 0.362111
C -2.998737 -1.632210 -0.571545
C -4.029193 -0.678867 0.080762
C -3.287521 1.688239 -0.268319
C -1.906839 -2.099571 0.411180
C 6.960853 -0.858689 -0.594573
C -0.147486 -3.732308 0.887025
C -0.197753 -2.636148 -1.292529
H 0.926006 0.928129 1.653127
H 1.542587 2.564191 1.337557
H 1.790218 0.165345 -0.603604
H 2.411442 1.798182 -0.919481
H -0.590251 1.106909 -0.368883
H 0.014804 2.742799 -0.687299
H 3.312453 -0.018398 1.421111
H 3.941055 1.609739 1.091538
H -0.871697 3.541703 1.520617
H -1.404911 1.907780 1.931279
H 4.788949 0.819823 -1.167962
H 4.169991 -0.809281 -0.827410
H -3.306761 3.369083 1.094851
H -2.447256 3.633285 -0.442380
H 6.324137 0.658319 0.838909
H 5.703602 -0.967708 1.185739
H -3.530261 -2.523717 -0.956849
H -2.559961 -1.109249 -1.440592
H -4.530108 -1.174725 0.934521
H -4.796651 -0.414070 -0.667048
H -1.326324 -1.206756 0.774908
H -2.397736 -2.548362 1.298950
H -3.044557 0.620783 1.500642
H 6.582846 -1.788301 -1.060684
H 7.899808 -1.103880 -0.064739
H 7.207004 -0.152217 -1.409728
H -0.778985 -4.164001 1.684187
H 0.557427 -3.000108 1.361235
H 0.454914 -4.548197 0.449086
H -0.851604 -2.304969 -2.115657
H 0.436050 -3.456016 -1.674609
H 0.473261 -1.780152 -1.014964


