%chk=000050981.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050981

0 1
 O  -0.6917000      -2.597700       1.010400    
 O   -1.290000       2.003700       1.319500    
 O   -1.475600       2.596800     -0.7903000    
 N    2.265300     -0.6774000     -0.1332000    
 N   -2.068100     -0.5414000     -0.4730000    
 N   -3.841500      0.6673000      2.2000000E-02
 N   -1.737000       1.799300      0.1549000    
 C    2.270300      0.4149000      0.8501000    
 C    3.632800      -1.109900     -0.4536000    
 C    3.053100       1.621600      0.3303000    
 C    4.460100      4.6999998E-02  -1.016200    
 C    4.474900       1.234200     -6.0199998E-02
 C    1.474000      -1.804900      0.3588000    
 C   6.2000002E-03  -1.425400      0.5834000    
 C  -0.6672000     -0.9048000     -0.6926000    
 C   -2.531900      0.6740000     -9.1700003E-02
 C   -3.119600      -1.384300     -0.6158000    
 C   -4.214100     -0.6130000     -0.3028000    
 H    2.697300      8.1500001E-02   1.805000    
 H    1.261500      0.7827000       1.052300    
 H    3.604100      -1.905500      -1.208000    
 H    4.131100      -1.520400      0.4346000    
 H    2.537600       2.046700     -0.5406000    
 H    3.081500       2.403700       1.097600    
 H    5.486100     -0.2887000      -1.204500    
 H    4.043700      0.3606000      -1.982000    
 H    4.982800       2.086000     -0.5255000    
 H    5.043300      0.9719000      0.8405000    
 H    1.894200      -2.213600       1.288100    
 H    1.506600      -2.628900     -0.3671000    
 H  -0.1105000     -0.7060000       1.399200    
 H  -0.6721000      -1.679500      -1.469800    
 H  -0.1619000     -2.5300000E-02  -1.103700    
 H  -0.2777000      -2.901300       1.836300    
 H   -3.018500      -2.418600     -0.9140000    
 H   -5.251300     -0.9145000     -0.2951000    


%chk=000050981-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050981

0 1
O -0.791199 -2.715988 0.986694
O -0.521402 1.744500 0.259971
O -2.348797 3.065672 -0.140773
N 2.274807 -0.661488 0.089763
N -2.004934 -0.535937 -0.560066
N -3.910096 0.719740 -0.349705
N -1.777634 1.917963 -0.063036
C 2.440191 0.416394 1.105216
C 3.585583 -1.094326 -0.465566
C 3.151199 1.642477 0.498838
C 4.319358 0.089025 -1.127190
C 4.510266 1.246032 -0.119923
C 1.467327 -1.797573 0.577559
C -0.044393 -1.476964 0.685482
C -0.592641 -0.973493 -0.654167
C -2.558750 0.733590 -0.330483
C -3.087794 -1.390213 -0.720322
C -4.247917 -0.603759 -0.589911
H 3.028079 0.037000 1.983162
H 1.444734 0.721275 1.469234
H 3.401056 -1.893190 -1.208559
H 4.240619 -1.527306 0.336440
H 2.494477 2.079636 -0.276657
H 3.287364 2.408348 1.285940
H 5.295943 -0.257031 -1.517417
H 3.719305 0.443046 -1.987677
H 4.978498 2.116954 -0.615962
H 5.202911 0.921436 0.684549
H 1.814598 -2.173147 1.577592
H 1.574432 -2.639437 -0.133446
H -0.235008 -0.715253 1.466864
H -0.549004 -1.798534 -1.387152
H 0.044926 -0.146603 -0.997123
H -0.599214 -2.999831 1.915237
H -2.942370 -2.453491 -0.887589
H -5.286718 -0.918724 -0.646515


