%chk=000060272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060272

0 1
 O  -0.5282000      0.7357000      -1.548800    
 N    1.696100     -0.6739000      0.2638000    
 N   -1.222000      0.3291000      0.6283000    
 C   -2.634600      0.1931000      0.3544000    
 C    1.135900      0.6751000      0.2172000    
 C   -2.877000     -0.9929000     -0.6095000    
 C  -0.2768000      0.5915000     -0.3540000    
 C    2.023100       1.633900     -0.5906000    
 C   -3.166000       1.509900     -0.2283000    
 C   -3.357500     -9.2000000E-02   1.680300    
 C    1.691100      -1.277000      -1.068800    
 C    3.054300     -0.6457000      0.8062000    
 C   -2.376200      -2.343500     -0.1086000    
 C    1.545300       3.082000     -0.6051000    
 C    2.212900      -2.703200      -1.028000    
 C    3.079600     -2.2200000E-02   2.191400    
 H    1.025600       1.083800       1.229300    
 H   -3.953800      -1.081200     -0.8065000    
 H   -2.418400     -0.8005000      -1.585800    
 H  -0.9067000      0.2060000       1.586400    
 H    2.099400       1.328300      -1.639700    
 H    3.042700       1.676500     -0.1975000    
 H   -4.256700       1.476000     -0.3327000    
 H   -2.759100       1.724700      -1.221000    
 H   -2.919000       2.359500      0.4189000    
 H   -4.424100     -0.2856000       1.521100    
 H   -3.274900      0.7654000       2.359800    
 H   -2.929000     -0.9479000       2.212900    
 H    2.289900     -0.7269000      -1.802000    
 H   0.6748000      -1.362400      -1.464800    
 H    3.800100     -0.1863000      0.1483000    
 H    3.396800      -1.675200      0.9644000    
 H   -2.521000      -3.100900     -0.8864000    
 H   -2.927800      -2.679500      0.7739000    
 H   -1.309800      -2.319600      0.1334000    
 H    1.472300       3.476400      0.4134000    
 H   0.5657000       3.179700      -1.082000    
 H    2.251000       3.708000      -1.160800    
 H    3.298400      -2.749300     -0.8962000    
 H    1.732600      -3.287900     -0.2359000    
 H    1.993100      -3.202300      -1.978800    
 H    2.981400       1.067200       2.170100    
 H    2.297600     -0.4363000       2.837800    
 H    4.041100     -0.2379000       2.671300    


%chk=000060272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060272

0 1
O -0.859635 1.721782 -1.274471
N 1.676024 -0.328155 0.419270
N -0.973177 0.094869 0.416991
C -2.449609 -0.097698 0.497585
C 1.232295 0.986615 -0.151279
C -3.019871 -0.573165 -0.878426
C -0.307755 0.964730 -0.410681
C 2.024986 1.488095 -1.394193
C -3.123141 1.246591 0.885853
C -2.699912 -1.147116 1.607092
C 1.787358 -1.408046 -0.609427
C 2.882289 -0.218581 1.288803
C -2.453959 -1.907185 -1.406442
C 1.992100 3.023867 -1.551542
C 1.590484 -2.815865 -0.016163
C 2.572199 0.369296 2.678659
H 1.378487 1.735280 0.654913
H -4.120432 -0.651678 -0.771391
H -2.819326 0.229013 -1.611712
H -0.329517 -0.473693 0.991763
H 1.617091 1.020811 -2.309668
H 3.077717 1.152223 -1.293102
H -4.218341 1.116158 0.962296
H -2.909289 2.013053 0.122331
H -2.745199 1.604426 1.860982
H -3.779763 -1.362605 1.687303
H -2.352718 -0.769680 2.586946
H -2.177016 -2.098370 1.397052
H 2.762756 -1.359812 -1.148109
H 1.001740 -1.228711 -1.366674
H 3.684901 0.380703 0.795036
H 3.291441 -1.236477 1.421030
H -2.855644 -2.123076 -2.413309
H -2.715265 -2.761409 -0.754851
H -1.352106 -1.864917 -1.489825
H 2.412289 3.525443 -0.657747
H 0.953085 3.365023 -1.688662
H 2.585951 3.345531 -2.427249
H 2.346182 -3.052384 0.754624
H 0.591586 -2.904297 0.448001
H 1.673413 -3.580692 -0.810560
H 2.168599 1.396156 2.614805
H 1.829139 -0.256765 3.203455
H 3.491763 0.412411 3.291493


