%chk=000043857.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043857

0 1
 O    2.049500      -1.744700       1.042100    
 O    3.655400     -0.7477000     -0.9950000    
 N   -2.349500      0.6557000      0.3646000    
 N   -4.100200     -0.8526000     -0.3096000    
 C  -0.6581000       2.315700      0.9681000    
 C   0.4946000       1.494100      0.4453000    
 C   -1.962400       2.056100      0.2195000    
 C   0.7405000      0.2439000      0.9910000    
 C    1.287200       2.004300     -0.5709000    
 C    1.806400     -0.5155000      0.5080000    
 C    2.612500     -1.4800000E-02 -0.5145000    
 C    2.353000       1.245100      -1.053800    
 C   -3.452300      0.3678000     -0.2411000    
 C   -5.349900      -1.000100      -1.042400    
 C   -3.443600      -2.080700      0.1160000    
 C    1.396900      -2.856900      0.4326000    
 C    4.920000     -0.5695000     -0.3600000    
 H  -0.7947000       2.107700       2.037600    
 H  -0.4065000       3.382000      0.9036000    
 H   -2.739900       2.709700      0.6343000    
 H   -1.835500       2.307500     -0.8414000    
 H   0.1170000     -0.1488000       1.789900    
 H    1.091500       2.983400     -0.9987000    
 H    2.976100       1.640700      -1.851300    
 H   -4.015100       1.151300     -0.7813000    
 H   -5.959500     -9.3400002E-02 -0.9674000    
 H   -5.144100      -1.194400      -2.099700    
 H   -5.948500      -1.826800     -0.6459000    
 H   -4.168400      -2.878800      0.3075000    
 H   -2.750000      -2.422800     -0.6587000    
 H   -2.881300      -1.923900       1.042600    
 H    1.700500      -2.955400     -0.6144000    
 H   0.3097000      -2.747800      0.5002000    
 H    1.691600      -3.763100      0.9689000    
 H    5.644700      -1.225400     -0.8500000    
 H    4.861400     -0.8416000      0.6986000    
 H    5.258500      0.4662000     -0.4639000    


%chk=000043857-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043857

0 1
O 1.445758 -1.823851 0.656229
O 3.187812 -0.703975 -1.407396
N -2.777163 1.162877 0.766209
N -3.447052 -0.923220 -0.149894
C -0.775861 2.597622 1.226177
C 0.284359 1.731723 0.567888
C -2.169675 2.480571 0.529358
C 0.413804 0.360778 0.906034
C 1.126762 2.256041 -0.447577
C 1.357525 -0.463594 0.259917
C 2.223443 0.084033 -0.729322
C 2.089407 1.442750 -1.085383
C -2.890949 0.344590 -0.249045
C -3.448586 -1.842403 -1.287887
C -3.911565 -1.435761 1.143699
C 1.094095 -2.788864 -0.408026
C 4.266291 -1.229856 -0.538563
H -0.910652 2.311797 2.285601
H -0.468317 3.661003 1.202355
H -2.832590 3.253438 0.966116
H -2.042670 2.720549 -0.554769
H -0.233645 -0.087426 1.666612
H 1.039586 3.312277 -0.729880
H 2.758017 1.843860 -1.854287
H -2.560761 0.594415 -1.279467
H -3.129118 -1.313064 -2.202147
H -2.758982 -2.698676 -1.125811
H -4.462761 -2.253167 -1.462995
H -4.948079 -1.817325 1.062304
H -3.262722 -2.258995 1.507627
H -3.876215 -0.606543 1.867547
H 1.736220 -2.649634 -1.296835
H 0.029733 -2.669930 -0.692724
H 1.253656 -3.785680 0.031614
H 4.897265 -1.849233 -1.194620
H 3.849361 -1.836516 0.285609
H 4.861768 -0.394108 -0.123870


