%chk=000031315.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031315

0 1
 O  -0.1006000     -2.7899999E-02  -2.884500    
 O   -4.566400      -2.850100      0.8248000    
 O    4.753200      -2.613900      0.5111000    
 N  -0.1054000       2.111500      -1.930100    
 C  -1.8400000E-02  0.2534000     -0.4068000    
 C  -2.8800000E-02   1.612200      0.2944000    
 C  -8.0700003E-02  0.7151000      -1.913100    
 C   -1.221300     -0.5675000     -8.1600003E-02
 C    1.243400     -0.5048000     -0.1635000    
 C  -7.9099998E-02   2.638400     -0.6476000    
 C  -1.2400000E-02   1.919300       1.647700    
 C  -0.1050000       3.975100     -0.2996000    
 C   -1.150300      -1.543800      0.9114000    
 C    1.486500      -1.691900     -0.8534000    
 C   -2.415400     -0.3571000     -0.7701000    
 C    2.178800     -2.5599999E-02  0.7530000    
 C  -3.7999999E-02   3.265300       2.026700    
 C  -8.3099999E-02   4.284800       1.060500    
 C   -2.274800      -2.310700       1.216200    
 C    2.666300      -2.400600     -0.6269000    
 C   -3.540000      -1.124100     -0.4654000    
 C    3.358700     -0.7343000      0.9796000    
 C   -3.469500      -2.101000      0.5277000    
 C    3.602400      -1.921900      0.2897000    
 H  -0.1452000       2.679000      -2.768400    
 H  -1.0000000E-03   1.143900       2.406900    
 H  -0.1440000       4.759100      -1.047300    
 H  -0.2548000      -1.720600       1.499600    
 H   0.7726000      -2.093100      -1.567400    
 H   -2.524100      0.4082000      -1.532600    
 H    2.106300      0.9010000       1.301400    
 H  -2.8700000E-02   3.527400       3.081400    
 H  -0.1041000       5.323800       1.378100    
 H   -2.209600      -3.063400       1.997400    
 H    2.843500      -3.325400      -1.169400    
 H   -4.469800     -0.9528000      -1.001100    
 H    4.089700     -0.3529000       1.687700    
 H   -4.338200      -3.475600       1.533900    
 H    4.755800      -3.408700     -4.9600001E-02


%chk=000031315-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031315

0 1
O 0.013637 -0.000419 -2.946956
O -4.767749 -2.766115 0.896092
O 4.966945 -2.601943 0.363824
N 0.090671 2.121283 -1.918110
C -0.011549 0.260474 -0.411732
C -0.086730 1.605310 0.324106
C 0.022793 0.722350 -1.920479
C -1.250542 -0.605155 -0.106179
C 1.315706 -0.501264 -0.170059
C 0.000422 2.667138 -0.614426
C -0.234612 1.895364 1.688230
C -0.032177 4.017943 -0.224662
C -1.240186 -1.494099 0.996346
C 1.512998 -1.747937 -0.819298
C -2.453770 -0.465581 -0.845419
C 2.362298 0.013592 0.634593
C -0.271300 3.251521 2.106637
C -0.165156 4.297015 1.158847
C -2.391778 -2.225738 1.355152
C 2.713149 -2.466841 -0.660672
C -3.610645 -1.190522 -0.501566
C 3.568897 -0.696985 0.803684
C -3.580617 -2.070287 0.603573
C 3.743676 -1.939154 0.156385
H 0.168789 2.661858 -2.779739
H -0.329201 1.086073 2.420431
H 0.035808 4.830434 -0.956012
H -0.318195 -1.632435 1.571558
H 0.723933 -2.145748 -1.465105
H -2.491322 0.204578 -1.710871
H 2.243087 0.978399 1.136871
H -0.385602 3.490502 3.169102
H -0.193889 5.339378 1.495104
H -2.360530 -2.913041 2.210923
H 2.846992 -3.427996 -1.174309
H -4.537114 -1.092105 -1.074767
H 4.378464 -0.303630 1.425442
H -4.644748 -3.356994 1.679945
H 4.997646 -3.449426 -0.145684


