%chk=000163688.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163688

0 1
 O    1.490700      0.2984000      0.6280000    
 O  -6.6200003E-02  -4.472500     -0.2781000    
 O    1.725200      0.6349000      -1.666300    
 N    1.004100      -2.419200      0.1623000    
 C   -3.849400      -1.250700     -0.2473000    
 C   -2.368700      -1.015100     -3.3500001E-02
 C   -2.114800      0.3547000      0.2022000    
 C   -4.408400      0.1496000     -0.1053000    
 C   -3.370900       1.072000      0.1580000    
 C   -1.346400      -1.947600     -4.9899999E-02
 C  -0.8235000      0.8026000      0.4250000    
 C  -4.4799998E-02  -1.495800      0.1747000    
 C   -5.728000      0.5545000     -0.2040000    
 C   -3.651700       2.417700      0.3259000    
 C   0.2141000     -0.1345000      0.4097000    
 C   -6.010800       1.911100     -3.4699999E-02
 C   -4.983200       2.833400      0.2276000    
 C   0.9352000      -3.800500     -5.3500000E-02
 C    2.175200      0.6663000     -0.5307000    
 C    3.552100       1.124600     -0.2142000    
 C    2.297600      -4.443900      1.3900000E-02
 C    4.142000       2.074300      -1.022700    
 C    4.197500      0.5866000      0.8801000    
 C    5.434500       2.505100     -0.7235000    
 C    5.490000       1.017500       1.179100    
 C    6.108600       1.976800      0.3774000    
 H   -4.252700      -1.909400      0.5273000    
 H   -4.038300      -1.643500      -1.250600    
 H   -1.627600      -2.972300     -0.2371000    
 H  -0.6156000       1.852200      0.6079000    
 H   -6.521900     -0.1558000     -0.4062000    
 H   -2.869400       3.141400      0.5287000    
 H   -7.037600       2.260100     -0.1063000    
 H   -5.228500       3.884600      0.3556000    
 H    1.927400      -2.027600      0.3360000    
 H    2.206900      -5.522000     -0.1451000    
 H    2.943800      -4.023200     -0.7617000    
 H    2.743200      -4.266500      0.9967000    
 H    3.625900       2.495600      -1.880200    
 H    3.742900     -0.1710000       1.511200    
 H    5.915900       3.252600      -1.347400    
 H    6.016400      0.6038000       2.034400    
 H    7.115200       2.311700      0.6099000    


%chk=000163688-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163688

0 1
O 1.555671 0.118202 0.161553
O -0.002400 -4.590394 0.063093
O 1.489648 1.976455 -1.281848
N 1.019122 -2.475414 0.058075
C -3.986752 -1.319804 0.029342
C -2.479124 -1.099127 0.041593
C -2.193913 0.299757 0.045575
C -4.539966 0.101112 0.025943
C -3.465529 1.044122 0.033986
C -1.454668 -2.056997 0.048485
C -0.859024 0.758319 0.061158
C -0.105149 -1.610690 0.055593
C -5.874441 0.541420 0.014477
C -3.728542 2.432243 0.028103
C 0.162173 -0.206059 0.061696
C -6.138418 1.934919 0.010454
C -5.073142 2.870224 0.016563
C 1.040613 -3.870389 0.057901
C 2.130313 1.234851 -0.508714
C 3.572742 1.369933 -0.163203
C 2.439850 -4.482605 0.050194
C 4.339063 2.310017 -0.902437
C 4.186750 0.612844 0.869661
C 5.708670 2.482047 -0.619511
C 5.557115 0.792908 1.151810
C 6.320680 1.723391 0.407041
H -4.325296 -1.895615 0.912968
H -4.310955 -1.893035 -0.861298
H -1.651481 -3.130511 0.047460
H -0.615772 1.822185 0.055161
H -6.703046 -0.176271 0.007781
H -2.910332 3.161330 0.028654
H -7.173958 2.293245 0.001162
H -5.295539 3.943234 0.010938
H 1.918621 -1.987105 0.059007
H 2.542357 -5.128769 -0.838707
H 3.254994 -3.738173 0.043715
H 2.553352 -5.129129 0.937521
H 3.843747 2.890321 -1.687922
H 3.585503 -0.090771 1.452145
H 6.298189 3.204606 -1.193511
H 6.029327 0.214388 1.952994
H 7.384946 1.859786 0.628649


