%chk=000040914.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040914

0 1
 O    1.103500      0.3397000       2.088400    
 O    4.822800      -1.341000      1.1200000E-02
 O   -4.151000     -0.5684000      -1.067100    
 N    2.904000     -0.5765000       1.021700    
 N  -0.2176000       4.330300     -7.1099997E-02
 C   0.6862000     -0.5747000     -0.1372000    
 C    1.318600      -1.781400     -0.9523000    
 C   0.7576000      0.7665000     -0.9304000    
 C    2.801000      -1.477100      -1.256800    
 C  -0.7759000     -0.8773000      0.2811000    
 C    1.553400     -0.2528000       1.104100    
 C    1.250900      -3.130600     -0.1886000    
 C   0.6186000      -2.015200      -2.313700    
 C   0.2178000       1.918400     -9.4700001E-02
 C    3.607100      -1.150900     -2.6400000E-02
 C   0.3193000       3.232800     -0.8668000    
 C   -1.811500     -0.5810000     -0.5937000    
 C   -1.027800      -1.440700       1.524000    
 C   -3.126800     -0.8539000     -0.2176000    
 C   -2.342800      -1.713600       1.900000    
 C   -3.392300      -1.420300       1.029300    
 C  -0.1538000       5.587800     -0.8181000    
 C   0.5093000       4.453900       1.193600    
 C   -5.470700     -0.8740000     -0.6190000    
 H    1.795700       1.010100      -1.187200    
 H   0.2246000      0.7216000      -1.884600    
 H    2.912100     -0.6461000      -1.961700    
 H    3.271900      -2.347100      -1.733600    
 H   0.2200000      -3.487200     -9.1799997E-02
 H    1.804400      -3.912800     -0.7220000    
 H    1.675500      -3.061800      0.8177000    
 H   0.6493000      -1.129300      -2.954300    
 H    1.115900      -2.820000      -2.869500    
 H  -0.4249000      -2.320200      -2.194200    
 H  -0.8160000       1.767200      0.2287000    
 H   0.8418000       2.043300      0.7852000    
 H    3.457900     -0.3413000       1.841000    
 H    1.362300       3.422400      -1.153800    
 H  -0.2603000       3.138700      -1.793800    
 H   -1.643200     -0.1596000      -1.578500    
 H  -0.2381000      -1.724800       2.212000    
 H   -2.548200      -2.164000       2.866800    
 H   -4.388800      -1.660300       1.383900    
 H   0.8765000       5.873800      -1.059100    
 H  -0.6135000       6.400900     -0.2451000    
 H  -0.7181000       5.508600      -1.754100    
 H    1.596700       4.468700       1.055700    
 H   0.2393000       3.662700       1.900200    
 H   0.2302000       5.384700       1.703300    
 H   -6.159300     -0.5818000      -1.418700    
 H   -5.741100     -0.2877000      0.2657000    
 H   -5.602900      -1.949700     -0.4607000    


%chk=000040914-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040914

0 1
O 1.268844 -0.037090 2.322463
O 4.926021 -1.276255 -0.182843
O -4.128505 -0.476304 -1.009898
N 3.019416 -0.650910 0.970715
N -0.148649 4.469483 -0.168806
C 0.708155 -0.627973 -0.039634
C 1.294317 -1.811389 -0.959799
C 0.791719 0.764704 -0.785141
C 2.768862 -1.494184 -1.343870
C -0.740786 -0.949642 0.394907
C 1.634572 -0.444082 1.187700
C 1.260854 -3.166532 -0.196727
C 0.493010 -1.989849 -2.274627
C 0.250461 1.980982 0.002070
C 3.672180 -1.151357 -0.173198
C 0.519223 3.290772 -0.769013
C -1.826314 -0.573374 -0.427392
C -1.026494 -1.690155 1.576132
C -3.157812 -0.919939 -0.094299
C -2.351834 -2.031702 1.905453
C -3.436767 -1.655911 1.080293
C -0.097174 5.641836 -1.065827
C 0.347138 4.797023 1.184095
C -5.529068 -0.772152 -0.702644
H 1.847581 0.965702 -1.051226
H 0.245522 0.686230 -1.743546
H 2.818813 -0.653267 -2.062829
H 3.223080 -2.359972 -1.857840
H 0.225024 -3.467437 0.029790
H 1.716514 -3.955688 -0.822828
H 1.820130 -3.132836 0.756512
H 0.509918 -1.085511 -2.909319
H 0.937605 -2.813509 -2.864020
H -0.558678 -2.250784 -2.071433
H -0.837450 1.888045 0.164966
H 0.720415 2.019601 1.000859
H 3.623012 -0.428547 1.773042
H 1.630569 3.446090 -0.855734
H 0.130926 3.185885 -1.802387
H -1.683935 0.004090 -1.345530
H -0.220434 -1.977056 2.255148
H -2.548904 -2.595072 2.824277
H -4.458648 -1.928644 1.359148
H 0.943004 6.014861 -1.255068
H -0.679769 6.471650 -0.626726
H -0.549925 5.385390 -2.040630
H 1.442355 5.036289 1.203203
H 0.166658 3.957248 1.875081
H -0.200923 5.674424 1.571214
H -6.104408 -0.328624 -1.528475
H -5.837328 -0.311574 0.256264
H -5.712496 -1.863986 -0.664625


