%chk=000090721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090721

0 1
 O  -0.1762000      0.4525000       1.303800    
 O    2.049300      -1.791100     -0.3624000    
 O   -3.864700     -4.1499998E-02   2.285600    
 O   -3.581400       1.322000      0.4810000    
 N   -1.573500     -0.3133000     -0.3748000    
 N    1.922700      0.5192000     -0.3071000    
 N    4.700300      -1.746200     -0.2117000    
 C   0.6095000      0.6291000     -0.9285000    
 C   0.4910000       2.095700      -1.326600    
 C   -2.589300     -0.8826000      0.5008000    
 C    1.357600       2.814500     -0.2955000    
 C    2.499000       1.837900     -5.6400001E-02
 C  -0.4034000      0.2504000      0.1098000    
 C   -1.883900     -0.5703000      -1.778900    
 C   -3.429900      -1.771700     -0.4083000    
 C   -3.310600      -1.097600      -1.773000    
 C    2.568500     -0.6960000     -0.1404000    
 C   -3.386400      0.2602000       1.053800    
 C    3.989800     -0.6136000      0.3570000    
 C    4.011600     -0.6575000       1.871600    
 H   0.5829000     -3.8500000E-02  -1.792700    
 H  -0.5371000       2.470200      -1.334300    
 H   0.9184000       2.245000      -2.325600    
 H   -2.105900      -1.430900       1.316400    
 H    1.706600       3.791600     -0.6411000    
 H   0.7897000       2.966400      0.6300000    
 H    3.302100       2.001500     -0.7832000    
 H    2.905700       1.912400      0.9543000    
 H   -1.192000      -1.336400      -2.145500    
 H   -1.769800      0.3376000      -2.377400    
 H   -4.470700      -1.872300     -8.6099997E-02
 H   -2.986600      -2.773700     -0.4599000    
 H   -3.509800      -1.780300      -2.603800    
 H   -4.020400     -0.2648000      -1.841400    
 H    4.487800      0.2935000      6.6999998E-03
 H    3.562800      -1.582800       2.252800    
 H    5.037600     -0.6015000       2.252000    
 H    3.447800      0.1718000       2.309900    
 H    5.663300      -1.753200      0.1221000    
 H    4.752100      -1.649400      -1.225300    
 H   -4.389200      0.6953000       2.665500    


%chk=000090721-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090721

0 1
O -0.526343 1.239545 1.248480
O 1.662047 -1.386202 -0.994974
O -4.354693 0.072515 1.891845
O -3.941936 1.194099 -0.101506
N -1.432955 -0.189315 -0.330936
N 1.929214 0.849599 -0.456553
N 4.341006 -1.861414 -0.708590
C 0.564609 1.185209 -0.953942
C 0.612629 2.730554 -1.090072
C -2.445235 -0.665349 0.629273
C 1.608705 3.170762 0.013663
C 2.673611 2.047871 0.022624
C -0.503513 0.740823 0.073220
C -1.496847 -0.912070 -1.636920
C -2.891164 -2.030876 0.029589
C -2.753919 -1.807361 -1.497966
C 2.383444 -0.444433 -0.513015
C -3.618154 0.317701 0.725927
C 3.776935 -0.749183 0.071184
C 3.614382 -1.054809 1.595527
H 0.407511 0.681359 -1.920664
H -0.382330 3.187193 -0.965083
H 0.996335 2.994375 -2.093082
H -2.008871 -0.759437 1.637071
H 2.056138 4.159369 -0.184848
H 1.085189 3.195361 0.982617
H 3.510645 2.274859 -0.667597
H 3.088234 1.882683 1.032085
H -0.566860 -1.494575 -1.768364
H -1.603726 -0.201625 -2.475873
H -3.907907 -2.317317 0.343399
H -2.188317 -2.810214 0.373547
H -2.643610 -2.752737 -2.054343
H -3.642592 -1.279096 -1.886448
H 4.425271 0.141557 -0.038550
H 2.942171 -1.920767 1.732030
H 4.599163 -1.300379 2.034573
H 3.193784 -0.198412 2.155643
H 5.124998 -2.338955 -0.256093
H 3.607141 -2.498013 -1.042871
H -5.118890 0.708705 1.939197


