%chk=000114018.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114018

0 1
 O  -0.7483000       1.116600      0.4495000    
 O    2.382200      -2.362700     -0.2499000    
 N   -4.854800       1.857500     -0.2589000    
 N    3.117500     -0.1561000     -5.7200000E-02
 N    1.537600       1.590500      0.3120000    
 N    5.101300       1.853100      4.6999999E-03
 C   -2.500300       2.521500     -0.3629000    
 C   -3.493700       1.366400     -0.4370000    
 C   -1.069600       2.042000     -0.5675000    
 C   0.7509000     -0.6780000      0.1048000    
 C   0.5440000      0.6426000      0.2850000    
 C    2.156800      -1.164600     -8.8200003E-02
 C  -0.3653000      -1.639200      7.9499997E-02
 C    2.744400       1.162400      0.1436000    
 C   -5.009800       2.481400       1.056500    
 C   -5.821000      0.7696000     -0.4214000    
 C    4.455800     -0.4467000     -0.2216000    
 C  -0.9916000      -1.945200      -1.127200    
 C  -0.7921000      -2.239900       1.262500    
 C    3.856100       2.165900      0.1635000    
 C   -2.048600      -2.855000      -1.151300    
 C   -1.849100      -3.149900       1.238300    
 C    5.374900      0.5251000     -0.1883000    
 C   -2.477300      -3.457400      3.1399999E-02
 H   -2.739700       3.281000      -1.116600    
 H   -2.528800       3.001800      0.6209000    
 H   -3.254200      0.5996000      0.3112000    
 H   -3.400100      0.8931000      -1.422800    
 H  -0.4108000       2.918500     -0.5266000    
 H  -0.9721000       1.576300      -1.556900    
 H   -4.501700       3.448600       1.113600    
 H   -4.657400       1.837600       1.870700    
 H   -6.065900       2.708600       1.247900    
 H   -6.846100       1.148800     -0.3438000    
 H   -5.685800     -1.8600000E-02  0.3282000    
 H   -5.729900      0.3190000      -1.416100    
 H    4.734900      -1.482100     -0.3778000    
 H  -0.6690000      -1.482800      -2.056900    
 H  -0.3120000      -2.010300       2.210600    
 H    3.553600       3.213100      0.3238000    
 H   -2.538300      -3.093800      -2.090900    
 H   -2.183200      -3.618800       2.159200    
 H    6.423400      0.2791000     -0.3196000    
 H   -3.300600      -4.165400      1.2800000E-02


%chk=000114018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114018

0 1
O -0.758966 0.997624 0.295173
O 2.580297 -2.466963 -0.272994
N -4.905101 2.217362 -0.195430
N 3.120375 -0.185810 -0.390593
N 1.470627 1.544873 -0.131151
N 5.075502 1.819769 -0.784518
C -2.532743 2.627625 0.543387
C -3.471712 1.946057 -0.473601
C -1.052861 2.462299 0.199910
C 0.778213 -0.835791 0.062687
C 0.532287 0.570975 0.075875
C 2.134159 -1.283349 -0.199656
C -0.286401 -1.852442 0.283980
C 2.740617 1.170538 -0.354045
C -5.390733 1.543494 1.027611
C -5.756744 1.891822 -1.360006
C 4.451086 -0.532752 -0.614566
C -0.250036 -3.099713 -0.406653
C -1.361465 -1.622615 1.191886
C 3.792274 2.136366 -0.569019
C -1.259357 -4.065003 -0.212071
C -2.361115 -2.596214 1.393577
C 5.395563 0.461889 -0.801471
C -2.320618 -3.822092 0.689768
H -2.765130 3.710109 0.566479
H -2.703887 2.236475 1.563489
H -3.253782 0.849231 -0.502844
H -3.247052 2.348784 -1.481111
H -0.395644 3.000863 0.904426
H -0.814242 2.797612 -0.826468
H -4.829863 1.892353 1.911119
H -5.300545 0.427324 0.976719
H -6.454413 1.795023 1.186905
H -6.802832 2.174961 -1.144688
H -5.742807 0.805516 -1.632732
H -5.421344 2.469268 -2.240023
H 4.648293 -1.606924 -0.625078
H 0.576355 -3.313507 -1.087918
H -1.411359 -0.679828 1.740695
H 3.509963 3.193207 -0.550238
H -1.211668 -5.011815 -0.761519
H -3.170940 -2.398186 2.105039
H 6.444150 0.211424 -0.974564
H -3.100100 -4.576639 0.845034


