%chk=000128757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128757

0 1
 O   -2.302700     -0.4445000      0.9269000    
 O   -1.034100       2.247000      -1.089700    
 O   -3.314200       2.380200      0.3829000    
 O   -4.311000      -2.265600      0.2113000    
 O    3.823300      0.1697000      -1.712800    
 N  -3.0600000E-02 -0.4623000      0.2429000    
 N    1.176300      -2.269500     -0.2441000    
 N    1.662200       1.120400      0.7960000    
 N    4.109700       1.048800      0.5746000    
 C   -1.215900      0.3682000      0.4434000    
 C   -1.722200       1.042000     -0.8229000    
 C   -3.184900       1.255500     -0.4869000    
 C   -3.527700     -1.0600000E-02  0.2921000    
 C   -4.031800      -1.137300     -0.5987000    
 C    1.276200     -0.1051000      0.3984000    
 C    2.006300      -1.229800      9.8999999E-02
 C  -3.9999999E-02  -1.774600     -0.1486000    
 C    3.485200      -1.356700      0.1297000    
 C    4.199700     -8.6700000E-02 -0.3566000    
 C    2.976100       1.510900      0.9630000    
 H  -0.9775000       1.087700       1.233700    
 H   -1.621700      0.3777000      -1.689700    
 H   -3.815700       1.438800      -1.360500    
 H   -4.248300      0.1797000       1.095700    
 H   -3.288100      -1.438200      -1.343200    
 H   -4.951300     -0.8487000      -1.116500    
 H  -0.9513000      -2.319600     -0.3542000    
 H   -1.483500       2.679500      -1.835600    
 H   -2.889700       2.175600       1.232600    
 H    3.804700      -1.603100       1.149000    
 H    3.768400      -2.194500     -0.5196000    
 H   0.9596000       1.803000       1.068200    
 H    5.266300     -0.3378000     -0.4016000    
 H   -3.487800      -2.509500      0.6682000    
 H    3.010000       2.421000       1.585600    
 H    4.218300       1.025300      -1.951800    


%chk=000128757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128757

0 1
O -2.602037 -0.422862 1.007918
O -1.008097 2.751591 0.328340
O -3.678770 2.333085 0.519144
O -3.389442 -2.350876 -1.099907
O 2.925158 -0.820146 -1.975637
N -0.195448 -0.510905 0.855182
N 1.101546 -2.372854 0.909179
N 1.492689 1.232779 0.343353
N 3.773294 1.007842 -0.611963
C -1.360109 0.368009 1.036147
C -1.481394 1.444492 -0.098136
C -2.997111 1.430089 -0.431334
C -3.376166 -0.042275 -0.231707
C -3.023652 -0.973236 -1.407563
C 1.129957 -0.101913 0.589939
C 1.911462 -1.262540 0.619335
C -0.144962 -1.899908 1.071353
C 3.381249 -1.359808 0.336256
C 3.806012 -0.448745 -0.843434
C 2.735944 1.657086 -0.145802
H -1.311692 0.858310 2.028555
H -0.876153 1.158011 -0.972962
H -3.224689 1.824256 -1.433090
H -4.436823 -0.186710 0.036378
H -1.949542 -0.891707 -1.675539
H -3.632405 -0.702384 -2.287824
H -1.018861 -2.469854 1.371690
H -1.791618 3.223073 0.730634
H -3.931356 1.820763 1.331478
H 3.990530 -1.077578 1.216092
H 3.620250 -2.408112 0.087677
H 0.827292 1.984358 0.580057
H 4.854280 -0.681053 -1.114444
H -2.820523 -2.667046 -0.351750
H 2.821498 2.753942 -0.106972
H 3.191987 -0.260274 -2.750442


