%chk=000147903.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147903

0 1
 O   -1.656700       2.164600      4.7899999E-02
 O    1.664000      -1.996100      7.7600002E-02
 O   -4.957300     -0.1794000      0.2197000    
 O    4.950100      1.8700000E-02 -0.3421000    
 O   -3.545300      0.5377000      -1.442800    
 O    3.510000      -1.313200      0.8512000    
 N   0.9311000       2.669000     -0.4530000    
 N  -0.9234000      -2.500100      0.5823000    
 N   -2.746000     -0.2914000      0.5761000    
 N    2.753800      0.4601000     -0.4472000    
 C   0.6802000       3.646400      0.6009000    
 C    2.068400       3.192100      0.2964000    
 C   -2.060600      -3.023200     -0.1671000    
 C  -0.6725000      -3.477500     -0.4716000    
 C   0.5599000       1.371500     -0.2091000    
 C  -0.5521000      -1.202600      0.3382000    
 C   -1.407200     -0.1689000      0.3359000    
 C    1.414800      0.3378000     -0.2067000    
 C  -0.8919000       1.201800      5.6899998E-02
 C   0.8996000      -1.032900      7.1599998E-02
 C   -3.727600      6.7699999E-02 -0.3240000    
 C    3.713800     -0.3693000      9.4099998E-02
 C   -7.382500     -0.1830000      0.1325000    
 C    7.364800     -0.2058000     -0.4290000    
 C   -6.081800      0.1463000     -0.6051000    
 C    6.054100     -0.7551000      0.1407000    
 C   -7.499000      0.6079000       1.437200    
 C   -8.587800      9.1799997E-02 -0.7641000    
 C    7.583800       1.251800     -1.7800000E-02
 C    8.543400      -1.066800      2.0300001E-02
 H   0.3561000       4.604400      0.2223000    
 H   0.2276000       3.292400       1.516500    
 H    2.704100       3.837900     -0.2909000    
 H    2.540600       2.574300       1.046900    
 H   -2.696700      -3.668100      0.4205000    
 H   -2.529300      -2.415300     -0.9267000    
 H  -0.2197000      -3.123500      -1.387100    
 H  -0.3485000      -4.435500     -9.3000002E-02
 H   -3.031000     -0.9597000       1.287600    
 H    3.082000       1.295200     -0.9230000    
 H   -7.373400      -1.248500      0.3953000    
 H    7.306100     -0.2316000      -1.524500    
 H   -6.022600     -0.4386000      -1.531000    
 H   -6.046800       1.213500     -0.8568000    
 H    5.920700      -1.796900     -0.1747000    
 H    6.069500     -0.7155000       1.237000    
 H   -7.483600       1.687000       1.249400    
 H   -6.676200      0.3706000       2.119400    
 H   -8.434800      0.3680000       1.953300    
 H   -8.642800       1.149200      -1.044400    
 H   -9.520300     -0.1722000     -0.2542000    
 H   -8.531200     -0.5003000      -1.683600    
 H    7.622400       1.354800       1.072000    
 H    6.779300       1.893900     -0.3908000    
 H    8.525900       1.632200     -0.4269000    
 H    8.646800      -1.062500       1.110800    
 H    9.480600     -0.6986000     -0.4101000    
 H    8.412500      -2.104600     -0.3038000    


%chk=000147903-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147903

0 1
O -1.462596 1.594138 1.579371
O 1.384335 -1.998947 -1.414604
O -5.087289 -0.378080 0.422306
O 5.014008 -0.009156 -0.245301
O -3.781339 -0.804136 -1.492751
O 3.700442 0.391840 1.666893
N 1.086685 2.242590 0.852492
N -1.163013 -2.649903 -0.683075
N -2.844648 -0.562248 0.671983
N 2.768388 0.153646 -0.500997
C 0.820587 3.261597 1.864003
C 2.243792 3.020587 1.315073
C -2.321876 -3.428534 -1.139390
C -0.901095 -3.669060 -1.695311
C 0.649838 1.005605 0.525653
C -0.726458 -1.413034 -0.356445
C -1.461789 -0.436399 0.326513
C 1.385224 0.028641 -0.156908
C -0.820811 0.757049 0.845044
C 0.743625 -1.163592 -0.677569
C -3.875624 -0.594276 -0.254652
C 3.797424 0.190293 0.427535
C -7.437349 0.279271 0.376612
C 7.440505 -0.236589 -0.300705
C -6.318916 -0.419760 -0.410480
C 6.229280 -0.002587 0.612837
C -7.124780 1.777878 0.586471
C -8.781237 0.078095 -0.364385
C 7.608450 0.907997 -1.325180
C 8.707310 -0.405516 0.572442
H 0.251480 4.136773 1.533241
H 0.581421 2.910011 2.872362
H 2.658765 3.731613 0.591179
H 2.966092 2.488646 1.940626
H -2.732543 -4.139692 -0.413165
H -3.047875 -2.897213 -1.761213
H -0.666974 -3.317502 -2.704894
H -0.329933 -4.543830 -1.367029
H -3.098096 -0.160424 1.581870
H 3.022962 -0.250423 -1.409551
H -7.504313 -0.210323 1.369150
H 7.262446 -1.181263 -0.852514
H -6.563642 -1.481138 -0.608345
H -6.117101 0.081827 -1.375411
H 6.126127 -0.798350 1.373806
H 6.293706 0.972525 1.133692
H -7.088633 2.308759 -0.384603
H -6.151287 1.912744 1.088634
H -7.904270 2.258024 1.205931
H -8.747251 0.527836 -1.375339
H -9.603852 0.564312 0.190111
H -9.032811 -0.993494 -0.474836
H 7.819446 1.865753 -0.810551
H 6.693180 1.035037 -1.928419
H 8.450601 0.699862 -2.010135
H 8.902903 0.506788 1.168569
H 9.592766 -0.585364 -0.063320
H 8.613014 -1.257003 1.272080


