%chk=000048194.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048194

0 1
 O   -5.817000      0.5668000      0.4511000    
 O   0.7914000       1.934100      -1.400500    
 O   0.2709000     -9.8999999E-03  -2.508600    
 N   -3.131000     -0.3748000      0.4373000    
 C   0.7260000     -7.7500001E-02 -8.0799997E-02
 C  -0.7197000      9.5700003E-02  0.5342000    
 C   -1.850200     -0.6284000     -0.2192000    
 C   -3.442000       1.061400      0.4372000    
 C   -4.211300      -1.123900     -0.2196000    
 C    1.171200      -1.560900     -0.1840000    
 C    1.795400      0.6609000      0.7750000    
 C   0.5883000      0.5817000      -1.483100    
 C   -4.787500       1.299600       1.116500    
 C   -5.539200     -0.8338000      0.4743000    
 C   0.7296000      -2.426400      0.7755000    
 C    3.079300      0.6678000      0.3151000    
 C    1.977600      -1.912600      -1.228400    
 C    1.381500       1.255000       1.930700    
 C    1.129400      -3.759500      0.6827000    
 C    4.038100       1.329900       1.082000    
 C    2.377300      -3.245800      -1.321100    
 C    2.340300       1.917100       2.697400    
 C    1.953200      -4.169200     -0.3654000    
 C    3.668600       1.954500       2.273100    
 C   0.6096000       2.665200      -2.617200    
 C   0.8702000       4.133100      -2.354100    
 H  -0.9144000       1.173500      0.5284000    
 H  -0.7645000     -0.2380000       1.578000    
 H   -1.896500     -0.3007000      -1.263400    
 H   -1.663400      -1.706600     -0.2285000    
 H   -3.472600       1.450500     -0.5887000    
 H   -2.724600       1.650200       1.013100    
 H   -4.013300      -2.200700     -0.1703000    
 H   -4.283500     -0.8390000      -1.277400    
 H   -4.763100       1.016000       2.176000    
 H   -5.049600       2.361200       1.064200    
 H   -6.353300      -1.343100     -5.1300000E-02
 H   -5.540000      -1.190100       1.511600    
 H   0.1143000      -2.140300       1.618700    
 H    3.395200      0.2270000     -0.6207000    
 H    2.343700      -1.225300      -1.981600    
 H   0.3740000       1.274100       2.319900    
 H   0.8051000      -4.477600       1.430400    
 H    5.070800       1.366900      0.7475000    
 H    3.022500      -3.564600      -2.134700    
 H    2.053600       2.405700       3.624200    
 H    2.266600      -5.206600     -0.4362000    
 H    4.414700       2.472200       2.868900    
 H    1.310300       2.294600      -3.373600    
 H  -0.4174000       2.529800      -2.973900    
 H    1.887700       4.282000      -1.977800    
 H   0.1888000       4.513400      -1.586000    
 H   0.7403000       4.723100      -3.265500    


%chk=000048194-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048194

0 1
O -5.774025 0.625190 0.086502
O 0.246476 1.924661 -1.272330
O 1.832604 0.546035 -2.248623
N -2.971917 -0.141268 0.239648
C 0.920197 -0.033345 0.013391
C -0.513165 0.111664 0.618114
C -1.623185 -0.516890 -0.250690
C -3.378561 1.226624 -0.174685
C -4.021007 -1.119554 -0.149358
C 1.211668 -1.540080 -0.202402
C 2.008914 0.601087 0.934562
C 1.052363 0.785169 -1.297851
C -4.728048 1.591420 0.463534
C -5.362125 -0.729507 0.493361
C 1.539483 -2.325122 0.934426
C 3.374967 0.440964 0.578700
C 1.056285 -2.195433 -1.449583
C 1.694220 1.343636 2.098398
C 1.711633 -3.721562 0.831474
C 4.398201 1.003248 1.368577
C 1.233413 -3.594199 -1.555918
C 2.720574 1.904187 2.894701
C 1.560130 -4.365367 -0.418579
C 4.075682 1.737841 2.534491
C 0.401626 2.860992 -2.428636
C -0.595542 3.994230 -2.211422
H -0.730754 1.182221 0.764291
H -0.530431 -0.376015 1.609858
H -1.485034 -0.220385 -1.321776
H -1.538438 -1.617968 -0.212195
H -3.469778 1.296623 -1.289619
H -2.611053 1.955074 0.144117
H -3.722678 -2.124828 0.203529
H -4.151386 -1.167080 -1.260493
H -4.621183 1.614508 1.569747
H -5.089327 2.569523 0.104257
H -6.174433 -1.396864 0.160751
H -5.268072 -0.774559 1.599991
H 1.671504 -1.835260 1.906303
H 3.629344 -0.126602 -0.323558
H 0.822338 -1.619409 -2.348716
H 0.653209 1.489948 2.399566
H 1.967928 -4.304622 1.723360
H 5.445616 0.868291 1.076275
H 1.118403 -4.078875 -2.532197
H 2.457662 2.470610 3.795435
H 1.699020 -5.448946 -0.504628
H 4.869589 2.173516 3.151482
H 1.449355 3.211608 -2.447158
H 0.210897 2.297955 -3.360047
H -0.386446 4.529490 -1.269429
H -1.628867 3.607445 -2.173398
H -0.526446 4.717680 -3.044147


