%chk=000068893.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068893

0 1
 O    7.770800     -2.6300000E-02 -0.4240000    
 N  -2.1400001E-02  0.1136000      0.4619000    
 N   -2.851300     -6.7199998E-02  0.1184000    
 C    1.337700      0.3918000      6.7100003E-02
 C    1.946100       1.491500      0.9360000    
 C    2.190600     -0.8779000      0.1465000    
 C  -0.8391000       1.330500      0.3857000    
 C  -0.6015000     -0.9318000     -0.3900000    
 C    3.337500       1.865100      0.4286000    
 C   -2.269900       1.061000      0.8568000    
 C   -2.025100      -1.276600      5.4200001E-02
 C    3.666800     -0.6169000     -2.3600001E-02
 C    4.211800      0.6686000      0.1489000    
 C   -4.245800     -0.1761000      7.5199999E-02
 C    4.520400      -1.694700     -0.3048000    
 C    5.594600      0.8559000      8.9999998E-04
 C    5.894100      -1.497000     -0.4390000    
 C    6.430700     -0.2217000     -0.2886000    
 C   -5.008300      0.4299000     -0.9450000    
 C   -4.932800     -0.9058000       1.066900    
 C   -6.397800      0.3107000     -0.9718000    
 C   -4.331000       1.215000      -2.020800    
 C   -6.322200      -1.025100       1.039900    
 C   -7.054800     -0.4168000      2.0700000E-02
 H    1.357600      0.7460000     -0.9756000    
 H    2.009100       1.156300       1.980100    
 H    1.387600       2.430100      0.9310000    
 H    1.911500      -1.577600     -0.6497000    
 H    2.049000      -1.379500       1.113100    
 H  -0.8555000       1.732100     -0.6363000    
 H  -0.4890000       2.120600       1.053100    
 H  -5.2499998E-02  -1.875400     -0.3241000    
 H  -0.6098000     -0.6207000      -1.443500    
 H    3.820600       2.512000       1.170900    
 H    3.243700       2.440900     -0.5010000    
 H   -2.280500      0.8355000       1.931200    
 H   -2.866700       1.969300      0.7078000    
 H   -2.453700      -1.990100     -0.6604000    
 H   -2.004800      -1.763200       1.037700    
 H    4.116400      -2.697600     -0.4205000    
 H    6.021700       1.850200      0.1127000    
 H    6.534000      -2.346900     -0.6607000    
 H   -4.382000      -1.383900       1.874100    
 H   -6.984000      0.7794000      -1.757800    
 H   -5.026400       1.490400      -2.821300    
 H   -3.912700       2.140500      -1.612600    
 H   -3.529500      0.6292000      -2.483200    
 H   -6.834000      -1.590400       1.813200    
 H   -8.136700     -0.5091000      3.9999999E-04
 H    8.195100     -0.8786000     -0.6234000    


%chk=000068893-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068893

0 1
O 7.959858 -0.076127 -0.229193
N -0.026330 0.204766 0.334489
N -2.906919 -0.082027 -0.067001
C 1.409166 0.427463 -0.037348
C 2.047706 1.528408 0.845429
C 2.248017 -0.861588 0.131388
C -0.886584 1.361786 -0.036229
C -0.625778 -1.032303 -0.235279
C 3.459351 1.887127 0.337772
C -2.321487 1.169022 0.477603
C -2.059823 -1.239422 0.285392
C 3.754354 -0.633341 0.016225
C 4.339006 0.659026 0.137364
C -4.329739 -0.239587 -0.003718
C 4.606196 -1.744668 -0.197050
C 5.742429 0.807526 0.050093
C 6.006333 -1.604140 -0.283788
C 6.572048 -0.312687 -0.157645
C -5.183486 0.625676 -0.767746
C -4.916333 -1.285925 0.764708
C -6.584072 0.433244 -0.690317
C -4.622449 1.679283 -1.706947
C -6.314538 -1.465731 0.810112
C -7.160671 -0.593774 0.091133
H 1.482761 0.754916 -1.109871
H 2.092005 1.152692 1.885939
H 1.430102 2.443591 0.855717
H 1.954161 -1.620549 -0.617102
H 2.009449 -1.285906 1.129932
H -0.916257 1.501070 -1.147838
H -0.479519 2.284473 0.410391
H -0.028952 -1.906594 0.071992
H -0.650411 -1.000889 -1.354687
H 3.948220 2.587522 1.041151
H 3.372441 2.430128 -0.626997
H -2.302592 1.132113 1.592167
H -2.938798 2.030675 0.180401
H -2.484645 -2.149009 -0.175574
H -2.008657 -1.396467 1.390040
H 4.165051 -2.744411 -0.296259
H 6.208088 1.794587 0.144736
H 6.644070 -2.482596 -0.447591
H -4.274256 -1.954638 1.347020
H -7.234143 1.089458 -1.283079
H -5.315175 1.854023 -2.548715
H -4.467925 2.657222 -1.208770
H -3.646377 1.355538 -2.111553
H -6.738728 -2.276544 1.413616
H -8.248339 -0.720125 0.121810
H 8.450770 -0.923087 -0.371023


