%chk=000155969.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155969

0 1
 O    1.131500      -3.010800      1.3900000E-02
 O  -0.8573000      -2.086500      0.1122000    
 N   -1.058900      0.7588000      0.1664000    
 N  -8.8900000E-02   2.732200      0.1581000    
 N   0.3911000      -2.001900      6.1099999E-02
 C   -2.157000     -0.2182000      0.1966000    
 C   0.2671000      0.4818000      0.1065000    
 C   -3.361900      0.2749000       1.028000    
 C   -2.612100     -0.6374000      -1.218800    
 C   0.8628000       1.740100      0.1022000    
 C   0.9917000     -0.7095000      5.7000000E-02
 C   -1.239900       2.099000      0.1959000    
 C    2.384800     -0.5971000      6.9999998E-04
 C   -4.480600     -0.7543000       1.132300    
 C   -3.182900      0.5177000      -2.032300    
 C    3.011600      0.6512000     -5.1000002E-03
 C    2.263600       1.834300      4.5200001E-02
 C    3.232900      -1.833400     -5.4699998E-02
 C    4.502200      0.7591000     -6.5300003E-02
 H   -1.908300     -0.9282000      0.9758000    
 H   -3.796700       1.194600      0.6225000    
 H   -3.029700      0.5337000       2.044000    
 H   -3.343300      -1.450900      -1.171900    
 H   -1.765800      -1.027500      -1.797300    
 H   -2.200800       2.592200      0.2311000    
 H   -5.221700     -0.4209000       1.866700    
 H   -4.100800      -1.727200       1.460000    
 H   -5.007600     -0.8831000      0.1826000    
 H   -2.444800       1.306000      -2.202700    
 H   -4.069600      0.9561000      -1.567600    
 H   -3.488300      0.1498000      -3.018400    
 H    2.742500       2.808700      4.1200001E-02
 H    3.057200      -2.404700     -0.9734000    
 H    4.305600      -1.625600     -9.6199997E-02
 H    3.133600      -2.434300      0.8565000    
 H    4.827300       1.806200     -6.1799999E-02
 H    4.964900      0.2874000      0.8078000    
 H    4.890300      0.3167000     -0.9888000    


%chk=000155969-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155969

0 1
O 0.870048 -2.966021 0.881840
O -0.388764 -2.354221 -0.916648
N -1.111372 0.682522 -0.031859
N -0.050778 2.727956 -0.078263
N 0.490551 -2.097422 0.003016
C -2.283041 -0.250833 0.024957
C 0.271153 0.407337 -0.040521
C -3.309393 0.249435 1.077326
C -2.871567 -0.502794 -1.392752
C 0.909882 1.697080 -0.053668
C 1.091814 -0.753264 0.028614
C -1.224167 2.083336 -0.064972
C 2.510648 -0.645844 0.083830
C -4.417415 -0.788476 1.356060
C -3.569935 0.700306 -2.060351
C 3.116177 0.658423 0.062886
C 2.312306 1.814299 -0.005699
C 3.406392 -1.872569 0.125812
C 4.627939 0.808462 0.108973
H -1.896181 -1.216291 0.389491
H -3.775558 1.198783 0.752473
H -2.763784 0.468408 2.015627
H -3.587300 -1.342452 -1.305165
H -2.050512 -0.869236 -2.033590
H -2.191362 2.578189 -0.064907
H -5.077903 -0.439855 2.169974
H -3.987290 -1.759741 1.664315
H -5.048208 -0.964626 0.466541
H -2.873936 1.544247 -2.216668
H -4.430219 1.066045 -1.469473
H -3.954795 0.407053 -3.053653
H 2.763199 2.811362 -0.015981
H 2.933640 -2.767351 -0.307055
H 4.346456 -1.684440 -0.417650
H 3.667264 -2.131083 1.169449
H 4.909622 1.870678 0.199787
H 5.070530 0.266645 0.964830
H 5.109657 0.414952 -0.806926


