%chk=000040929.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040929

0 1
 O   -4.049700     -0.5545000      -1.971900    
 O    1.660600       3.863200       1.697400    
 O    2.560500       1.798200       1.922100    
 N  -0.5291000       2.923400      0.3878000    
 C   0.8640000     -0.4411000      0.7079000    
 C   9.1799997E-02  0.7933000      0.4499000    
 C   -1.161400      0.8720000     -0.2194000    
 C   0.4544000       2.070400      0.8112000    
 C   -1.528600       2.219100     -0.2449000    
 C    1.898500     -0.6265000     -0.4098000    
 C  -6.8999998E-02  -1.617600       1.022000    
 C   -2.021200     -7.6499999E-02 -0.8081000    
 C   -2.717400       2.666900     -0.8318000    
 C    3.231500     -0.6157000     -7.6700002E-02
 C  -0.9408000      -1.498400       2.077500    
 C    1.448600     -0.7953000      -1.697100    
 C   6.3999998E-03  -2.741400      0.2351000    
 C   -3.213600      0.3570000      -1.399000    
 C    1.626700       2.505100       1.504900    
 C   -3.554400       1.708000      -1.409500    
 C    4.172200     -0.7839000      -1.093000    
 C   -1.788900      -2.568300       2.363500    
 C    2.389100     -0.9636000      -2.713300    
 C  -0.8418000      -3.811300      0.5210000    
 C    3.750900     -0.9578000      -2.411200    
 C   -1.739400      -3.724700       1.585300    
 H    1.422900     -0.3201000       1.646600    
 H  -0.5256000       3.925700      0.5191000    
 H   -1.784200      -1.130800     -0.8539000    
 H   -2.983400       3.718500     -0.8405000    
 H    3.573200     -0.4937000      0.9457000    
 H  -0.9806000     -0.6086000       2.698100    
 H   0.4007000     -0.8071000      -1.967900    
 H   0.7050000      -2.889200     -0.5761000    
 H   -4.484400       2.029200      -1.872800    
 H    5.232400     -0.7823000     -0.8575000    
 H   -2.485700      -2.502100       3.193900    
 H    2.061400      -1.099800      -3.739900    
 H  -0.7978000      -4.715800     -7.8800000E-02
 H    4.483100      -1.089600      -3.202400    
 H   -2.397900      -4.558800       1.809500    
 H   -3.666100      -1.442800      -1.873800    
 H    2.471900       4.140300       2.174200    


%chk=000040929-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040929

0 1
O -4.199066 -0.359635 -2.135139
O 1.500940 4.002486 1.773000
O 2.470809 1.899744 2.084325
N -0.590801 3.045789 0.402329
C 0.863321 -0.418050 0.701183
C 0.017946 0.825626 0.460558
C -1.234822 0.950454 -0.251394
C 0.380116 2.135309 0.850636
C -1.586454 2.350666 -0.272490
C 1.873180 -0.637273 -0.438365
C 0.008249 -1.661240 1.030973
C -2.102104 0.007516 -0.877977
C -2.763791 2.820122 -0.903662
C 3.232999 -0.882581 -0.123277
C -0.933815 -1.581876 2.091207
C 1.484573 -0.618810 -1.803070
C 0.156044 -2.895425 0.352412
C -3.268994 0.484846 -1.495152
C 1.535661 2.592635 1.606989
C -3.600274 1.876378 -1.515495
C 4.184040 -1.111686 -1.143609
C -1.712538 -2.699451 2.457207
C 2.432542 -0.846496 -2.825183
C -0.623707 -4.019136 0.716703
C 3.786426 -1.096858 -2.499952
C -1.562590 -3.927053 1.768164
H 1.467916 -0.204193 1.604506
H -0.533752 4.048242 0.572995
H -1.869605 -1.063154 -0.853627
H -3.021771 3.883978 -0.918048
H 3.548000 -0.878171 0.926696
H -1.058821 -0.632429 2.626220
H 0.442258 -0.413329 -2.070582
H 0.886240 -2.984251 -0.458533
H -4.525311 2.177144 -2.015917
H 5.231985 -1.294560 -0.880080
H -2.433350 -2.615719 3.278598
H 2.116186 -0.825359 -3.874507
H -0.490521 -4.966607 0.181672
H 4.521832 -1.271083 -3.293609
H -2.164118 -4.797928 2.052289
H -3.923971 -1.306453 -2.053262
H 2.303712 4.280871 2.287668


