%chk=000039392.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039392

0 1
 O   -2.568200       1.493300      0.2598000    
 O   -4.586300     -0.4090000     -0.2937000    
 O  -0.9653000       1.802800       1.834200    
 O    6.919600      -1.496700      0.3170000    
 O    4.786700      -2.174000      0.6992000    
 N  -0.4552000      0.9411000     -0.3095000    
 C   -2.660100      0.8149000      -1.000800    
 C   -1.234200      0.7674000      -1.506300    
 C   -3.262300     -0.5650000     -0.7736000    
 C   0.9520000      0.7257000     -0.2668000    
 C   -1.267900       1.433100      0.7085000    
 C    1.621200      0.2214000      -1.386100    
 C    1.674200       1.016900      0.8945000    
 C    3.715000      0.3025000     -0.1835000    
 C    2.999500      1.0300000E-02  -1.344500    
 C    3.052400      0.8059000      0.9361000    
 C    5.188700      7.6899998E-02 -0.1388000    
 C   -5.212100      -1.665000     -5.8699999E-02
 C    5.573400      -1.310300      0.3363000    
 C   -6.575900      -1.473600      0.4356000    
 C   -7.695200      -1.318700      0.8410000    
 H   -3.302700       1.403300      -1.664600    
 H   -1.018400     -0.1716000      -2.024000    
 H   -1.027800       1.614400      -2.170300    
 H   -2.678600      -1.121500     -3.0300001E-02
 H   -3.275700      -1.128100      -1.713900    
 H    1.108600     -1.3000000E-02  -2.313600    
 H    1.223500       1.407000       1.797400    
 H    3.504400     -0.3825000      -2.223200    
 H    3.599100       1.035200       1.847100    
 H    5.658400      0.8089000      0.5294000    
 H    5.617200      0.2277000      -1.137200    
 H   -5.236100      -2.239500     -0.9919000    
 H   -4.629700      -2.229300      0.6788000    
 H    7.168400      -2.394300      0.6250000    
 H   -8.688100      -1.181000       1.200700    


%chk=000039392-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039392

0 1
O -2.391776 0.697650 0.999427
O -4.900191 -0.355284 -0.414134
O -0.606729 1.423248 2.315724
O 6.771154 -1.050608 0.712662
O 5.982880 -1.677596 -1.379919
N -0.280393 0.505498 0.126240
C -2.572571 0.236523 -0.408520
C -1.142243 -0.132987 -0.885314
C -3.554751 -0.927224 -0.454593
C 1.140504 0.531585 -0.003874
C -1.015654 0.929991 1.249598
C 1.747489 -0.102300 -1.123349
C 1.968975 1.179799 0.952255
C 3.978469 0.565461 -0.340439
C 3.146397 -0.082501 -1.284993
C 3.366777 1.187233 0.774513
C 5.497798 0.593758 -0.517261
C -5.928907 -1.400241 -0.235704
C 6.085171 -0.809706 -0.484962
C -7.261349 -0.790179 -0.284622
C -8.398432 -0.318355 -0.318740
H -2.990328 1.088793 -0.972873
H -0.979025 -1.230285 -0.902845
H -0.944008 0.265379 -1.895201
H -3.367870 -1.602765 0.408446
H -3.409747 -1.503734 -1.398086
H 1.140984 -0.619174 -1.873073
H 1.519006 1.657944 1.824173
H 3.596826 -0.589780 -2.145471
H 3.989806 1.688325 1.524616
H 5.966772 1.201288 0.271575
H 5.756737 1.029960 -1.499682
H -5.836764 -2.166800 -1.037912
H -5.779143 -1.907515 0.742430
H 7.111967 -1.986918 0.715268
H -9.385334 0.107116 -0.346061


