%chk=000082306.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082306

0 1
 O   -5.402500      -2.148600       1.355100    
 O    5.402000      -2.121400      -1.376900    
 O   -6.408900     -0.1810000      0.7124000    
 O    6.418000     -0.1671000     -0.7092000    
 N   -4.568400      3.5300002E-02  -1.330700    
 N    4.589400      5.2000000E-03   1.334500    
 C   -4.828700      -1.285600     -0.7835000    
 C    4.838900      -1.287700      0.7762000    
 C  -1.5600000E-02   3.121400      1.1700000E-02
 C   -3.458300      0.7879000      -1.003400    
 C    3.453200      0.7742000       1.008200    
 C   -1.214900       2.308500     -0.3420000    
 C    1.205500       2.295100      0.3625000    
 C   -5.624900      -2.090400      -1.812300    
 C   -3.485100      -1.947900     -0.4773000    
 C    3.491900      -1.940600      0.4651000    
 C    5.635900      -2.110400       1.790000    
 C   -5.644900      -1.114100      0.4954000    
 C    5.651200      -1.100400     -0.5031000    
 C   -3.235100       1.161700      0.3219000    
 C    3.228900       1.161000     -0.3132000    
 C   -2.559900       1.174600      -1.997900    
 C    2.553700       1.148000       2.006600    
 C   -2.113400       1.921900      0.6526000    
 C    2.105100       1.921400     -0.6359000    
 C   -1.438200       1.934900      -1.667100    
 C    1.429900       1.908500       1.683700    
 C   -6.115100      -2.103700       2.595400    
 C    6.110300      -2.060900      -2.619100    
 H   -4.920900      0.1962000      -2.270800    
 H    4.916700      0.1549000       2.285900    
 H   0.2326000       3.803000     -0.8138000    
 H  -0.2513000       3.793700      0.8483000    
 H   -6.579000      -1.602500      -2.044900    
 H   -5.856600      -3.093000      -1.435600    
 H   -5.070100      -2.199300      -2.751100    
 H   -2.973500      -1.523400      0.3933000    
 H   -3.622600      -3.013600     -0.2532000    
 H   -2.801600      -1.903700      -1.334000    
 H    2.808800      -1.904900       1.322800    
 H    3.626300      -3.004800      0.2308000    
 H    2.980400      -1.509500     -0.4023000    
 H    5.083800      -2.233600       2.728700    
 H    5.864000      -3.107500       1.396800    
 H    6.592300      -1.629300       2.027800    
 H   -3.921700      0.8863000       1.116200    
 H    3.917000      0.8955000      -1.109500    
 H   -2.721500      0.8884000      -3.034200    
 H    2.716900      0.8513000       3.039500    
 H   -1.953000       2.208600       1.688500    
 H    1.943200       2.218800      -1.668500    
 H  -0.7464000       2.229100      -2.451900    
 H   0.7369000       2.193000       2.471000    
 H   -5.843900      -1.203500       3.155000    
 H   -7.193500      -2.136900       2.413800    
 H   -5.830700      -2.980800       3.182600    
 H    5.840400      -1.151500      -3.164500    
 H    7.189300      -2.100600      -2.442000    
 H    5.820700      -2.928300      -3.218000    


%chk=000082306-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082306

0 1
O -5.361793 -1.737462 1.380762
O 5.369114 -1.714517 -1.408001
O -6.543411 0.102880 0.596274
O 6.557711 0.094733 -0.563940
N -4.667455 -0.166049 -1.704804
N 4.655360 -0.223076 1.710252
C -5.324068 -1.311856 -1.051111
C 5.314303 -1.354695 1.034354
C 0.007223 2.838563 0.017311
C -3.535280 0.533362 -1.245789
C 3.530617 0.492247 1.257271
C -1.207426 2.026392 -0.431161
C 1.215827 2.013052 0.456877
C -6.617365 -1.614663 -1.858798
C -4.417103 -2.566931 -1.046484
C 4.403309 -2.606015 0.988924
C 6.598468 -1.682375 1.846885
C -5.810985 -0.885074 0.370526
C 5.816423 -0.893616 -0.371199
C -2.847463 0.218814 -0.037004
C 2.851590 0.207566 0.036191
C -3.037068 1.611945 -2.032475
C 3.030883 1.555747 2.063234
C -1.707465 0.953385 0.347040
C 1.717764 0.955218 -0.340699
C -1.901469 2.339301 -1.627203
C 1.901776 2.296910 1.664742
C -5.795730 -1.379202 2.756291
C 5.815477 -1.320761 -2.769836
H -5.226520 0.311023 -2.413050
H 5.210444 0.235300 2.433835
H 0.299447 3.512065 -0.814426
H -0.280914 3.504714 0.856396
H -7.298940 -0.745554 -1.843676
H -7.148368 -2.479939 -1.427778
H -6.350362 -1.858123 -2.903018
H -3.456823 -2.385212 -0.541177
H -4.916008 -3.408622 -0.537819
H -4.206554 -2.847457 -2.093405
H 4.182125 -2.912715 2.026319
H 4.904452 -3.436003 0.463465
H 3.448501 -2.408382 0.479339
H 6.320312 -1.949619 2.882351
H 7.130264 -2.539223 1.400330
H 7.283294 -0.815814 1.858961
H -3.200084 -0.586636 0.613731
H 3.206164 -0.584611 -0.629594
H -3.544158 1.872736 -2.970658
H 3.531600 1.793804 3.010842
H -1.188804 0.681488 1.274523
H 1.205761 0.705886 -1.278218
H -1.544270 3.164103 -2.257387
H 1.543080 3.109428 2.309809
H -5.419660 -0.377025 3.021277
H -6.896708 -1.381124 2.819947
H -5.356455 -2.154501 3.399168
H 5.445190 -0.310247 -3.010186
H 6.916897 -1.325216 -2.824876
H 5.378329 -2.076446 -3.437055


