%chk=000152741.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152741

0 1
 O    4.706600       1.529600     -1.2500000E-02
 O    4.996500     -0.6355000     -0.2311000    
 N    2.482200       2.536000      0.2121000    
 N    3.118100      -2.210500     -0.2656000    
 N   0.6239000       1.071500      0.1858000    
 N   0.9423000      -1.305100     -5.3900000E-02
 N    4.252500      0.3640000     -9.4400004E-02
 C    1.838200       3.648800     -0.4977000    
 C    1.780100       3.569200      0.9844000    
 C    2.867000      -3.447000      0.4860000    
 C    2.656400      -3.405500     -0.9836000    
 C    1.963400       1.220000      0.1204000    
 C    2.271800      -1.083700     -0.1120000    
 C    2.844800      0.1690000     -2.9600000E-02
 C   0.1953000     -0.1983000      9.3000002E-02
 C   -1.236400     -0.3968000      0.1591000    
 C   -2.100300      0.5954000     -0.3054000    
 C   -1.751100      -1.577500      0.6861000    
 C   -3.492300      0.4181000     -0.2480000    
 C   -4.015600     -0.7828000      0.2878000    
 C   -3.131300      -1.770800      0.7505000    
 C   -4.376500       1.406000     -0.7111000    
 C   -5.407600     -0.9599000      0.3452000    
 C   -5.756700       1.213200     -0.6464000    
 C   -6.271300      3.2600001E-02 -0.1191000    
 H    2.551300       4.320200     -0.9528000    
 H   0.9640000       3.390000      -1.076500    
 H   0.8608000       3.266400       1.462600    
 H    2.453200       4.186100       1.561900    
 H    2.011200      -3.427700       1.144400    
 H    3.773500      -3.893600      0.8671000    
 H    3.416800      -3.824000      -1.626700    
 H    1.650200      -3.370000      -1.373400    
 H   -1.706700       1.518500     -0.7292000    
 H   -1.104400      -2.365400       1.065200    
 H   -3.511600      -2.700800       1.168300    
 H   -3.997000       2.337000      -1.127200    
 H   -5.832100      -1.874900      0.7533000    
 H   -6.429600       1.985400      -1.007700    
 H   -7.345900     -0.1169000     -6.8899997E-02


%chk=000152741-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000152741

0 1
O 4.677306 1.443272 -0.452732
O 4.939820 -0.583743 0.546741
N 2.236429 2.558541 0.332541
N 2.923769 -2.316427 -0.320983
N 0.483044 1.050810 0.068456
N 0.818410 -1.344215 -0.127926
N 4.188987 0.343949 0.035646
C 2.908366 3.584779 -0.498585
C 1.471504 3.780198 0.004486
C 3.824234 -3.125705 0.533014
C 2.510548 -3.701853 -0.013236
C 1.836702 1.258183 0.091490
C 2.178820 -1.174539 -0.101002
C 2.752689 0.144823 0.009330
C 0.026427 -0.233705 -0.040213
C -1.442560 -0.440703 -0.063563
C -2.315240 0.641979 0.128222
C -1.980313 -1.756673 -0.284178
C -3.732225 0.459316 0.106569
C -4.270681 -0.868723 -0.118884
C -3.356619 -1.959917 -0.311247
C -4.639989 1.554384 0.301794
C -5.691918 -1.047250 -0.141903
C -6.021042 1.350241 0.274393
C -6.551009 0.038577 0.050309
H 3.739270 4.109106 -0.019564
H 3.056760 3.351427 -1.557584
H 0.648951 3.669233 -0.710822
H 1.277448 4.455445 0.844059
H 3.871583 -2.866254 1.595249
H 4.780373 -3.402063 0.081127
H 2.533164 -4.399873 -0.856297
H 1.667357 -3.822875 0.675895
H -1.887947 1.635647 0.298451
H -1.275203 -2.579105 -0.431627
H -3.762434 -2.964013 -0.482907
H -4.229792 2.556727 0.473154
H -6.098093 -2.051424 -0.312669
H -6.706631 2.191269 0.424246
H -7.636561 -0.108545 0.031150


