%chk=000178376.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178376

0 1
 O   -1.352100      -1.777700       1.382500    
 O    3.152100      0.2003000     -0.8969000    
 O   -2.218300       3.487200      -1.096900    
 O   -1.788900     -0.8179000      -2.034800    
 O   -4.027000      -1.060600      0.8007000    
 O  -0.6384000      -3.959400       1.282900    
 O    5.178800      0.2423000      -1.968600    
 N   0.3944000      0.5828000     -6.4700000E-02
 C  -0.8719000      0.5900000      0.6888000    
 C    1.540300      0.6155000      0.8537000    
 C   -1.639900     -0.7538000      0.4339000    
 C  -0.4324000      0.7062000       2.169200    
 C   -1.950400       1.635100      0.3847000    
 C   0.9740000      0.1367000       2.182600    
 C   0.4909000       1.468600      -1.218600    
 C    2.676400     -0.2672000      0.3734000    
 C   -1.657500       3.100700      0.1618000    
 C   -3.077600     -0.3216000      0.5861000    
 C   -3.202500       1.137600      0.3985000    
 C   0.6770000       2.961500     -0.9355000    
 C   -1.497900      -1.460300     -0.8651000    
 C  -0.1917000       3.540100      0.1820000    
 C    3.893800     -0.2159000       1.270300    
 C    5.004800     -0.5990000      0.3120000    
 C   -1.101600      -2.723800     -0.7134000    
 C   -4.527600       1.789600      0.2613000    
 C  -0.9879000      -2.926100      0.7382000    
 C    4.504600     -3.0000000E-03 -0.9804000    
 C    6.355900     -5.0900001E-02  0.7293000    
 C  -0.8285000      -3.797700      -1.694200    
 C   -2.850800      -1.459300      -2.722700    
 H    1.896400       1.643600      0.9862000    
 H   -1.086300      0.1784000       2.871800    
 H  -0.3961000       1.749300       2.503500    
 H    1.548600      0.5080000       3.037300    
 H   0.9486000     -0.9571000       2.244500    
 H  -0.3996000       1.339400      -1.844000    
 H    1.294200       1.145200      -1.886900    
 H    2.336300      -1.302500      0.2350000    
 H   -2.180100       3.676100      0.9358000    
 H   0.4741000       3.509600      -1.864700    
 H    1.728600       3.166500     -0.6995000    
 H   0.2583000       3.326300       1.155700    
 H  -0.1566000       4.633100      7.8500003E-02
 H    3.819000     -0.8929000       2.126700    
 H    4.053400      0.7998000       1.654700    
 H    5.048700      -1.687200      0.1876000    
 H   -5.167600       1.534700       1.112300    
 H   -5.023200       1.453000     -0.6547000    
 H   -4.454800       2.879900      0.2248000    
 H   -1.895700       2.881900      -1.784700    
 H    6.643000     -0.4306000       1.715000    
 H    7.129700     -0.3453000      1.2100000E-02
 H    6.350900       1.044000      0.7698000    
 H   -1.676600      -4.486000      -1.757000    
 H   5.6400001E-02  -4.371100      -1.398400    
 H  -0.6242000      -3.396900      -2.691100    
 H   -3.265700     -0.7393000      -3.435400    
 H   -3.663200      -1.762700      -2.052100    
 H   -2.493300      -2.315400      -3.300600    


%chk=000178376-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178376

0 1
O -1.381984 -1.685178 1.646710
O 3.004607 0.137621 -1.060402
O -2.547211 3.651104 -0.985470
O -1.865323 -0.735097 -1.817511
O -4.209765 -1.079082 1.038174
O -0.543774 -3.867917 1.651484
O 5.011712 0.091999 -2.226506
N 0.254343 0.772830 -0.009538
C -0.979292 0.679928 0.795176
C 1.481738 0.705174 0.815879
C -1.766202 -0.706080 0.622946
C -0.477508 0.823426 2.273322
C -2.080544 1.706658 0.480935
C 0.972415 0.296622 2.227989
C 0.261885 1.568211 -1.254526
C 2.503524 -0.315440 0.290031
C -1.820829 3.193211 0.229535
C -3.264836 -0.295684 0.770599
C -3.346616 1.162975 0.538270
C 0.450035 3.097260 -1.040297
C -1.531305 -1.441269 -0.686912
C -0.342221 3.636243 0.172953
C 3.790845 -0.461017 1.137817
C 4.879077 -0.836462 0.103515
C -1.076847 -2.720312 -0.468775
C -4.680518 1.847374 0.441382
C -0.955115 -2.892703 0.994945
C 4.379144 -0.169779 -1.191153
C 6.321279 -0.426964 0.451206
C -0.731369 -3.881602 -1.370525
C -1.628602 -1.343867 -3.142314
H 1.997413 1.693851 0.861686
H -1.109264 0.258532 2.975033
H -0.498891 1.888373 2.566885
H 1.601479 0.718306 3.029619
H 0.966889 -0.802709 2.336336
H -0.697612 1.366770 -1.766014
H 1.062131 1.189846 -1.912746
H 1.996212 -1.285859 0.127780
H -2.324805 3.768828 1.030578
H 0.145886 3.627375 -1.964241
H 1.521535 3.330983 -0.894967
H 0.156288 3.328015 1.111888
H -0.329254 4.741755 0.155474
H 3.672412 -1.213477 1.933704
H 4.044569 0.508513 1.609832
H 4.848030 -1.930750 -0.083015
H -5.311025 1.557702 1.302163
H -5.222490 1.512375 -0.463006
H -4.584087 2.941797 0.390971
H -2.311158 3.047527 -1.735760
H 6.688548 -0.989559 1.327320
H 6.992669 -0.625519 -0.401816
H 6.378308 0.652023 0.682668
H -1.634097 -4.354967 -1.799091
H -0.222543 -4.649652 -0.762772
H -0.060616 -3.602434 -2.200304
H -2.056066 -0.631639 -3.862488
H -2.142172 -2.315953 -3.222726
H -0.545734 -1.460437 -3.319629


