%chk=000058046.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058046

0 1
 O  -0.9183000       1.142800      0.2922000    
 O   -3.959400      0.3835000       1.083000    
 O    1.370900     -0.5490000      0.6084000    
 O    1.749200     -0.4078000      -1.673900    
 O    4.971800      0.9144000       1.331600    
 N    3.421100      0.2775000     -0.2168000    
 N    3.832800      0.4526000       1.202400    
 C   -2.223000       1.592600     -0.1862000    
 C   -3.202100      0.3888000     -0.1173000    
 C   -2.224000     -0.7249000     -6.8999998E-02
 C  -0.9588000     -0.2240000      0.1936000    
 C   -2.643200       2.774600      0.6908000    
 C   -2.033800       2.069700      -1.636100    
 C   -2.433500      -2.086700     -0.1975000    
 C   0.1383000      -1.049600      0.3455000    
 C   -1.336400      -2.940700     -5.8899999E-02
 C  -5.8499999E-02  -2.425100      0.2128000    
 C    2.160400     -0.2346000     -0.5273000    
 C    4.346300      0.6459000      -1.277300    
 H   -3.874600      0.3282000     -0.9789000    
 H   -2.660600       2.497100       1.750700    
 H   -1.919500       3.594000      0.6083000    
 H   -3.628800       3.156800      0.4068000    
 H   -2.969000       2.458500      -2.052100    
 H   -1.273900       2.857700      -1.689600    
 H   -1.680200       1.257700      -2.281500    
 H   -3.422400      -2.486900     -0.3936000    
 H   -4.650000       1.062300      0.9952000    
 H   -1.472800      -4.014300     -0.1557000    
 H   0.7789000      -3.109900      0.3211000    
 H    3.916200      0.4660000      -2.266100    
 H    5.258300      4.9400002E-02  -1.178800    
 H    4.585900       1.709800      -1.188500    


%chk=000058046-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058046

0 1
O -0.752208 1.006741 0.090452
O -3.902974 0.464501 1.156589
O 1.490122 -0.906059 0.398971
O 1.594364 0.102604 -1.727827
O 4.949221 0.542017 1.369705
N 3.353983 0.337655 -0.190721
N 3.796121 0.055563 1.140539
C -2.110622 1.597044 -0.310013
C -3.141666 0.413898 -0.104924
C -2.247399 -0.806433 -0.051684
C -0.909100 -0.375526 0.076864
C -2.335116 2.802933 0.600344
C -1.989989 1.958698 -1.799665
C -2.567848 -2.173926 -0.025996
C 0.132773 -1.314026 0.197058
C -1.520156 -3.117533 0.116725
C -0.175467 -2.686675 0.226482
C 2.078504 -0.135618 -0.603776
C 4.193126 1.121591 -1.117475
H -3.847972 0.395528 -0.960692
H -2.390587 2.487488 1.654527
H -1.502138 3.517011 0.486420
H -3.270828 3.328945 0.332408
H -2.925420 2.424648 -2.161747
H -1.160926 2.669401 -1.952316
H -1.784000 1.060872 -2.408910
H -3.609603 -2.502215 -0.096798
H -4.559568 1.206618 1.108626
H -1.743995 -4.188229 0.143370
H 0.642388 -3.405622 0.336291
H 3.649569 1.216763 -2.067132
H 5.158769 0.610750 -1.271383
H 4.395943 2.116992 -0.687013


