%chk=000130982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130982

0 1
 O    3.307500       1.193400     -0.6825000    
 O    1.614400       2.657100     -0.3156000    
 O    6.563900      -1.871100      2.1299999E-02
 N    1.228300      0.3313000     -0.5160000    
 N    5.362900     -7.8400001E-02  0.8992000    
 N   -7.144800     -0.4364000      0.4398000    
 C    3.470100     -0.2309000     -0.6321000    
 C    2.077500     -0.7759000     -0.8652000    
 C    4.044400     -0.6124000      0.7253000    
 C  -0.1807000      0.2021000     -0.3543000    
 C    1.981700       1.501600     -0.4749000    
 C  -0.7848000      -1.056800     -0.4245000    
 C  -0.9698000       1.333400     -0.1255000    
 C   -2.947700     -5.1500000E-02 -3.9099999E-02
 C   -2.165000      -1.183300     -0.2672000    
 C   -2.350000       1.206700      3.1700000E-02
 C    6.521300     -0.7545000      0.5312000    
 C   -4.379400     -0.1826000      0.1239000    
 C    7.768800      4.3499999E-02  0.8005000    
 C   -5.063900      -1.207700     -0.5191000    
 C   -5.075500      0.7158000      0.9247000    
 C   -6.434000      -1.290500     -0.3304000    
 C   -6.445200      0.5471000       1.048800    
 H    4.147300     -0.5389000      -1.436800    
 H    1.919400      -1.002000      -1.925900    
 H    1.885100      -1.668300     -0.2628000    
 H    4.084500      -1.701900      0.8314000    
 H    3.435000     -0.2065000       1.540200    
 H    5.445000      0.8527000       1.297200    
 H  -0.2174000      -1.964800     -0.6021000    
 H  -0.5720000       2.337600     -6.5200001E-02
 H   -2.583200      -2.185600     -0.3027000    
 H   -2.923400       2.118100      0.1783000    
 H    8.642600     -0.6121000      0.7517000    
 H    7.865100      0.8310000      4.8200000E-02
 H    7.726100      0.4942000       1.796100    
 H   -4.587800      -1.924200      -1.179600    
 H   -4.600500       1.519400       1.476600    
 H   -7.015900      -2.067400     -0.8152000    
 H   -7.033900       1.216600       1.667400    


%chk=000130982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130982

0 1
O 3.296085 1.269199 -0.247850
O 1.522100 2.738371 0.105937
O 6.853012 -2.029879 0.210856
N 1.179104 0.392653 -0.249423
N 5.669072 -0.086051 0.684141
N -7.428533 -0.473921 0.194994
C 3.477386 -0.200843 -0.468941
C 2.038919 -0.787006 -0.474434
C 4.365987 -0.748621 0.655691
C -0.240364 0.280522 -0.180512
C 1.919477 1.578801 -0.106209
C -0.844444 -0.999676 -0.319035
C -1.076344 1.414170 0.022740
C -3.090732 -0.020169 -0.046095
C -2.242920 -1.139389 -0.254508
C -2.470755 1.252212 0.089094
C 6.849185 -0.783085 0.448239
C -4.568101 -0.173558 0.032504
C 8.125942 0.046917 0.502325
C -5.255907 -1.190545 -0.685864
C -5.366772 0.688515 0.834094
C -6.657981 -1.301580 -0.574258
C -6.764912 0.505154 0.881780
H 3.982403 -0.307140 -1.443039
H 1.799353 -1.272850 -1.437056
H 1.905527 -1.530391 0.335336
H 4.561388 -1.825334 0.492889
H 3.841503 -0.624029 1.623957
H 5.684789 0.924780 0.830148
H -0.234901 -1.895728 -0.467030
H -0.629996 2.405380 0.120395
H -2.675348 -2.142734 -0.334961
H -3.091763 2.145270 0.219488
H 8.770969 -0.337213 1.311594
H 8.679526 -0.082480 -0.443119
H 7.946000 1.122578 0.669942
H -4.713715 -1.872544 -1.349076
H -4.906546 1.476829 1.438686
H -7.200441 -2.078603 -1.125024
H -7.391253 1.159919 1.498404


