%chk=000072988.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072988

0 1
 O    2.753800      -1.545600      -2.073100    
 O   -6.261400      -2.401800      0.1063000    
 O   -7.068200     -0.5227000       1.098500    
 N   -1.099900       1.119700     -0.7123000    
 N    2.043800      0.7696000     -0.9469000    
 N    3.366000       1.541300       1.406700    
 N    4.656200     -0.4805000       1.277900    
 N    4.343300      -2.046600     -0.4897000    
 N    5.920600      -2.394600       1.210400    
 C   0.6923000       2.783300     -0.9016000    
 C  -0.7201000       2.474100     -0.3828000    
 C    1.751700       1.919400     -0.3117000    
 C   -2.337100      0.5741000     -0.4115000    
 C    3.009300      2.1500001E-02 -0.3756000    
 C    3.673900      0.3832000      0.7848000    
 C    2.400500       2.298100      0.8431000    
 C   -3.320100       1.333000      0.2513000    
 C   -2.644500     -0.7548000     -0.7593000    
 C    3.357400      -1.251100      -1.046000    
 C   -4.850100     -0.5360000      0.2021000    
 C   -4.565400      0.7829000      0.5555000    
 C   -3.889700      -1.304900     -0.4553000    
 C    4.935700      -1.651800      0.6087000    
 C   -6.148100      -1.110000      0.5203000    
 H   0.7101000       2.666300      -1.993300    
 H   0.9239000       3.838600     -0.7097000    
 H  -0.7479000       2.621200      0.7038000    
 H   -1.414300       3.185600     -0.8458000    
 H  -0.4405000      0.5323000      -1.211000    
 H    2.171300       3.221200       1.362800    
 H   -3.140800       2.363400      0.5464000    
 H   -1.906500      -1.368200      -1.271700    
 H    5.141000     -0.2151000       2.125900    
 H   -5.300100       1.398000       1.068600    
 H   -4.069300      -2.335500     -0.7482000    
 H    6.222700      -3.280200      0.8193000    
 H    6.374700      -2.081000       2.061300    
 H   -7.140100      -2.779400      0.3250000    


%chk=000072988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072988

0 1
O 1.525853 -2.018979 -0.880284
O -6.077955 -2.703138 -0.104972
O -7.112199 -0.777219 0.679430
N -1.039799 1.245243 -0.600461
N 1.694102 0.816392 -0.512082
N 3.949695 1.811151 0.898343
N 4.821895 -0.385256 0.977602
N 3.661155 -2.294823 0.052489
N 5.753877 -2.558204 1.043132
C 0.675423 3.042420 -0.701146
C -0.725943 2.614390 -0.185864
C 1.802201 2.150502 -0.220764
C -2.261505 0.632405 -0.372922
C 2.673929 -0.030130 -0.101691
C 3.807829 0.491242 0.591561
C 2.936870 2.628594 0.495112
C -3.393136 1.345449 0.138744
C -2.404404 -0.764106 -0.666756
C 2.553502 -1.514904 -0.352206
C -4.760040 -0.694111 0.022574
C -4.616911 0.686788 0.326511
C -3.630401 -1.408835 -0.474288
C 4.706311 -1.749699 0.669357
C -6.068094 -1.330987 0.239004
H 0.654725 3.016964 -1.808117
H 0.863608 4.086602 -0.394799
H -0.768161 2.721959 0.922534
H -1.468474 3.323374 -0.604244
H -0.219476 0.659415 -0.830947
H 3.037583 3.688688 0.748519
H -3.311022 2.408361 0.386803
H -1.535098 -1.321365 -1.036834
H 5.619151 0.014645 1.480765
H -5.487940 1.226296 0.714408
H -3.734285 -2.474012 -0.699584
H 5.656198 -3.548235 0.826079
H 6.597895 -2.219373 1.497649
H -6.992858 -3.050503 0.070546


