%chk=000152548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152548

0 1
 O   0.1108000      -1.302100       1.239000    
 O   0.3262000      0.4180000      -1.908100    
 N   -3.878900      0.1132000     -6.0300000E-02
 N  -0.2540000     -0.7296000      9.3000000E-03
 N    6.041800      0.2822000      0.7721000    
 C   -2.463200      0.2800000      0.2664000    
 C   -1.653800     -0.8883000     -0.2770000    
 C   -4.653800       1.253400      0.4277000    
 C   -4.391100      -1.133400      0.5074000    
 C   -4.135100       2.558300     -0.1524000    
 C   -5.845300      -1.353500      0.1264000    
 C   0.6313000     -8.7499999E-02 -0.8293000    
 C    2.044100      8.3999997E-03 -0.4099000    
 C    2.925100     -0.9954000     -0.7720000    
 C    2.454700       1.100200      0.3345000    
 C    4.259900     -0.9043000     -0.3769000    
 C    3.789400       1.191300      0.7294000    
 C    4.691900      0.1891000      0.3738000    
 H   -2.311400      0.3748000       1.350000    
 H   -2.050300       1.183100     -0.1959000    
 H   -1.782100     -0.9482000      -1.364800    
 H   -1.931100      -1.855000      0.1501000    
 H   -5.696200       1.178700      0.1014000    
 H   -4.652800       1.311900       1.523500    
 H   -3.875100      -2.003400      9.4099998E-02
 H   -4.281500      -1.166600       1.598500    
 H   -3.204600       2.887300      0.3204000    
 H   -3.983800       2.492300      -1.235400    
 H   -4.868700       3.353400      2.4400000E-02
 H   -6.527100     -0.7051000      0.6851000    
 H   -6.011600      -1.205600     -0.9463000    
 H   -6.134900      -2.384200      0.3616000    
 H    2.595300      -1.849500      -1.356600    
 H    1.756900       1.884000      0.6149000    
 H  -5.5700000E-02 -0.5540000       1.837600    
 H    4.953600      -1.691700     -0.6605000    
 H    4.113800       2.048500       1.313900    
 H    6.354900       1.073600       1.318400    
 H    6.696200     -0.4452000      0.5166000    


%chk=000152548-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152548

0 1
O 0.166732 -1.973009 0.443992
O 0.100284 1.479520 -0.710348
N -3.980459 0.051611 0.247770
N -0.262714 -0.700111 -0.128558
N 6.298064 0.209334 0.513306
C -2.550761 0.039548 0.627208
C -1.694037 -0.637076 -0.473125
C -4.667756 1.336952 0.537679
C -4.717571 -1.154437 0.703426
C -4.254174 2.459102 -0.434437
C -5.941166 -1.486293 -0.172874
C 0.613353 0.372032 -0.322852
C 2.077586 0.228412 -0.060841
C 2.814713 -0.989003 -0.103633
C 2.797203 1.437732 0.155346
C 4.208307 -0.995767 0.077697
C 4.184826 1.440553 0.353104
C 4.919442 0.216769 0.320290
H -2.382331 -0.476112 1.604955
H -2.185384 1.074596 0.738873
H -1.799810 -0.057465 -1.404827
H -2.028183 -1.672679 -0.657524
H -5.755953 1.168268 0.441488
H -4.490266 1.665789 1.593210
H -4.015306 -2.008976 0.662496
H -5.035334 -1.060904 1.774007
H -3.167285 2.654998 -0.398400
H -4.509814 2.175800 -1.470347
H -4.776966 3.401327 -0.183553
H -6.695716 -0.679565 -0.149428
H -5.628189 -1.628157 -1.221889
H -6.430840 -2.412326 0.182553
H 2.295076 -1.929831 -0.299631
H 2.233744 2.376786 0.148141
H 0.260995 -1.808225 1.424588
H 4.758031 -1.943916 0.026736
H 4.712798 2.386504 0.525375
H 6.806897 1.075209 0.666494
H 6.825760 -0.657889 0.474633


