%chk=000017954.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017954

0 1
 O    1.371100      0.6795000      -1.178000    
 O    3.079700      -1.392300     -0.7464000    
 O    5.429200     -0.9525000      0.8652000    
 N   -2.206800      0.2819000     -0.4492000    
 C    3.390500     -0.1730000     -0.2033000    
 C  -0.9475000      4.2900000E-02  -1.114900    
 C    2.500900      0.8749000     -0.4420000    
 C   0.1259000      0.9500000     -0.5376000    
 C    4.534900      4.2700000E-02  0.5686000    
 C   -3.254700     -0.5994000     -0.9591000    
 C    4.200400      -2.280900     -0.7386000    
 C    4.884900      -2.251000      0.6141000    
 C   -4.566200     -0.3783000     -0.2531000    
 C    2.772800       2.145100      6.6699997E-02
 C    4.812800       1.316300       1.065500    
 C    3.929600       2.366700      0.8147000    
 C   -4.859500      -1.111200      0.8884000    
 C   -5.462900      0.5554000     -0.7535000    
 C   -6.074300     -0.9063000       1.542700    
 C   -6.677600      0.7602000     -9.9100001E-02
 C   -6.983300      2.9200001E-02   1.049000    
 H   -1.027200      0.2197000      -2.194900    
 H  -0.6306000      -1.000300     -0.9920000    
 H   0.2070000      0.7833000      0.5453000    
 H  -0.1311000       2.002500     -0.7078000    
 H   -2.959700      -1.649900     -0.8379000    
 H   -3.394900     -0.4441000      -2.037100    
 H    4.884800      -1.988600      -1.544600    
 H    3.828400      -3.287300     -0.9543000    
 H   -2.484500       1.254700     -0.5799000    
 H    4.189500      -2.502100       1.424600    
 H    5.711100      -2.968500      0.6380000    
 H    2.098600       2.976200     -0.1219000    
 H    5.707100       1.495900       1.656000    
 H    4.141600       3.358200       1.204400    
 H   -4.158100      -1.841100       1.282600    
 H   -5.233800       1.131100      -1.645800    
 H   -6.312300      -1.475000       2.437000    
 H   -7.385200       1.489200     -0.4830000    
 H   -7.929000      0.1889000       1.558600    


%chk=000017954-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000017954

0 1
O 1.279750 -0.320936 -0.260034
O 3.605110 -1.467669 -0.968655
O 6.127523 -0.449038 0.113045
N -2.416382 0.028589 -0.323072
C 3.660943 -0.363561 -0.086825
C -1.086894 -0.546546 -0.610442
C 2.433325 0.253656 0.288231
C -0.012893 0.275537 0.110132
C 4.880704 0.143812 0.429702
C -3.563288 -0.806786 -0.744157
C 4.919060 -1.783577 -1.567069
C 5.999333 -1.795741 -0.482013
C -4.894519 -0.203626 -0.308564
C 2.446690 1.373922 1.152564
C 4.896305 1.268857 1.282818
C 3.678456 1.878012 1.635422
C -5.029595 0.397486 0.969311
C -6.024223 -0.258633 -1.161977
C -6.271687 0.925080 1.385968
C -7.270267 0.264560 -0.745084
C -7.397838 0.858630 0.531462
H -0.836066 -0.597740 -1.696227
H -1.061157 -1.582546 -0.224829
H -0.165190 0.230017 1.206121
H -0.043384 1.338772 -0.212586
H -3.432562 -1.800185 -0.266671
H -3.589909 -0.993693 -1.846206
H 5.160179 -1.028865 -2.341012
H 4.796972 -2.773944 -2.034017
H -2.509324 0.991428 -0.675815
H 5.738721 -2.523193 0.311314
H 6.992765 -2.032396 -0.895702
H 1.511927 1.856155 1.449602
H 5.857342 1.632318 1.657113
H 3.680408 2.748634 2.299121
H -4.148716 0.449129 1.618201
H -5.929409 -0.711517 -2.157171
H -6.363529 1.386235 2.376238
H -8.135478 0.214299 -1.416039
H -8.361603 1.267766 0.855201


