%chk=000131124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131124

0 1
 O   0.8369000      0.6279000     -0.7376000    
 O   3.9799999E-02  -3.649600      0.7924000    
 O    5.655000      0.3115000     -0.6231000    
 O   -5.631200      0.4321000     -0.6765000    
 O    5.606600       1.069300       1.562700    
 O   -5.583900       1.207100       1.503200    
 N   -1.786100      -2.311500      0.3118000    
 N    7.495500       1.478400      0.2686000    
 N   -7.627000       1.072500      0.3998000    
 C   0.4481000      -1.471200      1.3000000E-02
 C  -0.1019000     -0.2858000     -0.4112000    
 C    1.852900      -1.289100     -5.1700000E-02
 C   -1.510500     -9.2000002E-03 -0.5117000    
 C    2.040700      1.5300000E-02 -0.5178000    
 C   -2.349100      -1.077900     -0.1302000    
 C  -0.4105000      -2.574100      0.4069000    
 C    2.989900      -2.068800      0.2271000    
 C   -2.057200       1.196800     -0.9444000    
 C    3.291000      0.5960000     -0.7249000    
 C   -3.734500     -0.9301000     -0.1851000    
 C    4.404000     -0.2000000     -0.4400000    
 C   -4.278900      0.2799000     -0.6196000    
 C    4.258900      -1.508300      2.7200000E-02
 C   -3.445000       1.336900     -0.9970000    
 C    6.212600      0.9682000      0.4965000    
 C   -6.238300      0.9307000      0.4985000    
 C    8.201900       2.182700       1.329200    
 C    8.207000       1.349800     -0.9989000    
 C   -8.393200       1.575600       1.531000    
 C   -8.393400      0.7450000     -0.7980000    
 H   -2.433300      -3.049500      0.5753000    
 H    2.897000      -3.087600      0.5910000    
 H   -1.424700       2.028400      -1.241500    
 H    3.391200       1.612300      -1.088600    
 H   -4.390500      -1.746600      0.1056000    
 H    5.140000      -2.109000      0.2412000    
 H   -3.874500       2.276700      -1.334900    
 H    9.133900       1.652000       1.544100    
 H    7.606000       2.239200       2.243500    
 H    8.427700       3.197300      0.9884000    
 H    9.139800      0.8064000     -0.8224000    
 H    8.433600       2.351400      -1.375800    
 H    7.622800      0.8138000      -1.749300    
 H   -7.751700       1.796300       2.387800    
 H   -9.128400      0.8199000       1.822300    
 H   -8.909000       2.491100       1.227400    
 H   -9.129100     -2.3200000E-02 -0.5430000    
 H   -7.760200      0.3735000      -1.605900    
 H   -8.910300       1.646600      -1.139400    


%chk=000131124-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131124

0 1
O 0.933367 0.917232 -0.130363
O -0.087863 -3.645030 0.744785
O 5.872722 0.143335 -0.031634
O -5.658714 0.992964 -0.055409
O 5.659599 2.465303 -0.491726
O -6.572698 -1.159997 0.376705
N -1.826895 -2.098905 0.473482
N 7.753556 1.428880 -0.291646
N -7.934288 0.721912 0.055205
C 0.430174 -1.306030 0.296055
C -0.091944 -0.029517 0.060972
C 1.874487 -1.189543 0.257452
C -1.486456 0.286343 0.018769
C 2.150162 0.183072 -0.005312
C -2.368246 -0.826467 0.240280
C -0.446013 -2.446972 0.522446
C 2.964066 -2.079912 0.414374
C -2.040509 1.574038 -0.217423
C 3.426966 0.741570 -0.124129
C -3.776330 -0.647069 0.225444
C 4.489997 -0.179668 0.039986
C -4.284775 0.643611 -0.010481
C 4.267098 -1.562137 0.303489
C -3.426783 1.757748 -0.233284
C 6.374826 1.448812 -0.291777
C -6.725921 0.068307 0.147795
C 8.469964 2.689607 -0.545179
C 8.580976 0.235313 -0.055841
C -9.167797 -0.062651 0.234700
C -8.100190 2.159668 -0.213125
H -2.467607 -2.883523 0.629995
H 2.786527 -3.139103 0.616564
H -1.365888 2.418594 -0.385880
H 3.602918 1.797028 -0.326868
H -4.456985 -1.483578 0.392779
H 5.140568 -2.210336 0.417389
H -3.871987 2.739694 -0.412405
H 9.109200 2.950315 0.319948
H 7.736560 3.492572 -0.708349
H 9.111320 2.594277 -1.442163
H 9.234423 0.392309 0.824168
H 9.223510 0.036608 -0.935503
H 7.941291 -0.636824 0.124557
H -8.901699 -1.111756 0.428730
H -9.794339 -0.008311 -0.675802
H -9.751038 0.329356 1.089457
H -8.676736 2.308718 -1.146402
H -7.119954 2.639833 -0.316715
H -8.652221 2.639412 0.617890


