%chk=000116136.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116136

0 1
 O  -0.1213000       1.310700      0.5568000    
 O    2.626400      0.1524000       2.046400    
 N    3.148500      0.4689000     -0.2101000    
 C    4.382900       1.207400      1.5500000E-02
 C    2.786000      0.2544000      -1.609500    
 C    1.126500     -0.7235000      0.5415000    
 C    2.356600     -7.0000002E-03  0.8495000    
 C   -1.252100     -0.7519000      0.1073000    
 C  -8.4500000E-02 -4.5499999E-02  0.4020000    
 C   -2.519400     -6.9799997E-02 -4.0199999E-02
 C    1.172100      -2.108900      0.3863000    
 C   -1.204400      -2.138500     -4.7600001E-02
 C    4.120700       2.701400      0.1027000    
 C    3.377500      -1.041700      -2.137300    
 C   6.6000000E-03  -2.816500      9.1700003E-02
 C   -3.343100      0.1199000       1.069200    
 C   -2.916600      0.3999000      -1.292100    
 C   -4.563900      0.7795000      0.9270000    
 C   -4.137400       1.059500      -1.434400    
 C   -4.961100       1.249300     -0.3248000    
 H    4.821800      0.8713000      0.9615000    
 H    5.101100      0.9813000     -0.7797000    
 H    1.700000      0.2333000      -1.730500    
 H    3.145500       1.101300      -2.204900    
 H    2.106500      -2.651500      0.5048000    
 H   -2.102800      -2.707200     -0.2765000    
 H    3.689400       3.083500     -0.8280000    
 H    3.420800       2.931800      0.9129000    
 H    5.053700       3.240700      0.2932000    
 H    4.471400      -1.020900      -2.089200    
 H    3.044600      -1.916000      -1.575900    
 H    3.091600      -1.185300      -3.184200    
 H   4.1800000E-02  -3.895600     -2.6300000E-02
 H   -3.048300     -0.2392000       2.052500    
 H   -2.286000      0.2613000      -2.167200    
 H   -5.205200      0.9277000       1.790900    
 H   -4.446600       1.425500      -2.409100    
 H   -1.017800       1.658200      0.4307000    
 H   -5.911500       1.763000     -0.4356000    


%chk=000116136-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116136

0 1
O 0.074967 1.166775 0.145451
O 3.016119 -0.438733 1.916437
N 3.146291 0.474300 -0.218413
C 4.417830 1.145958 0.147126
C 2.670957 0.626276 -1.610657
C 1.188879 -0.947507 0.428754
C 2.505067 -0.267814 0.758837
C -1.268196 -0.914247 0.069520
C -0.020431 -0.236037 0.221963
C -2.539212 -0.151467 -0.114918
C 1.140208 -2.361184 0.488438
C -1.266571 -2.331328 0.091360
C 4.182355 2.551256 0.740706
C 3.341150 -0.368013 -2.585004
C -0.073613 -3.055463 0.298722
C -2.895378 0.909147 0.768719
C -3.436207 -0.484441 -1.166676
C -4.105367 1.618557 0.594045
C -4.646618 0.221527 -1.336056
C -4.983705 1.280947 -0.460919
H 4.932741 0.512239 0.889392
H 5.046663 1.203822 -0.760670
H 1.578384 0.504276 -1.633984
H 2.877748 1.666783 -1.926974
H 2.065798 -2.905925 0.701831
H -2.220313 -2.860184 -0.016312
H 3.636017 3.201519 0.033309
H 3.591593 2.472224 1.668544
H 5.147700 3.034282 0.980586
H 4.442065 -0.271687 -2.568284
H 3.082610 -1.407920 -2.317788
H 2.998284 -0.180620 -3.619622
H -0.093533 -4.149074 0.337519
H -2.259831 1.130801 1.635111
H -3.169537 -1.290314 -1.859869
H -4.367108 2.422595 1.290934
H -5.323873 -0.049435 -2.153726
H -0.822205 1.560830 -0.022980
H -5.921730 1.830475 -0.595152


