%chk=000175682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000175682

0 1
 O   -6.519700       1.616900      0.4379000    
 O   -6.983000      -1.098300      0.4265000    
 N   -3.558800     -0.2921000     -0.6889000    
 C   -4.979400     -5.0400000E-02 -0.4956000    
 C   -2.870400     -0.3853000      0.6000000    
 C   0.8921000      0.2421000      0.2046000    
 C    1.385400      -1.090000      0.1563000    
 C   -1.410100     -0.6433000      0.4472000    
 C    1.800800       1.347200      0.1072000    
 C   -5.148100       1.279700      0.2659000    
 C   -5.577400      -1.247900      0.2677000    
 C    2.791800      -1.328900      1.0200000E-02
 C   -5.635000      3.6100000E-02  -1.882300    
 C    3.194600       1.110300     -3.7599999E-02
 C  -0.5133000      0.4186000      0.3509000    
 C    3.692500     -0.2335000     -8.6099997E-02
 C   0.4369000      -2.147200      0.2578000    
 C  -0.9324000      -1.933200      0.4002000    
 C    1.364200       2.701900      0.1496000    
 C    3.342700      -2.640900     -4.3800000E-02
 C    4.049200       2.245700     -0.1297000    
 C    5.077700     -0.5311000     -0.2290000    
 C    2.232900       3.787100      5.6600001E-02
 C    4.706000      -2.890900     -0.1843000    
 C    3.582700       3.557800     -8.3899997E-02
 C    5.578200      -1.830300     -0.2774000    
 H   -3.149000      0.4658000      -1.235300    
 H   -3.249700      -1.196300       1.227400    
 H   -2.948000      0.5285000       1.195600    
 H   -4.664400       2.106300     -0.2678000    
 H   -4.751500       1.241800       1.282700    
 H   -5.403700      -2.189200     -0.2662000    
 H   -5.193100      -1.362100       1.283600    
 H   -5.491100     -0.8905000      -2.451100    
 H   -5.208100      0.8553000      -2.473400    
 H   -6.713600      0.2147000      -1.814300    
 H  -0.9450000       1.415400      0.3898000    
 H   0.7434000      -3.189400      0.2276000    
 H   -1.602000      -2.785800      0.4699000    
 H   0.3139000       2.958100      0.2587000    
 H    2.713300      -3.524200      2.3800001E-02
 H    5.124700       2.139100     -0.2418000    
 H    5.822200      0.2565000     -0.3082000    
 H    1.847200       4.801000      9.4599999E-02
 H    5.073800      -3.911600     -0.2197000    
 H    4.278000       4.388100     -0.1584000    
 H    6.644500      -2.001600     -0.3874000    
 H   -6.549700       2.468600      0.9063000    
 H   -7.137100     -0.3205000      0.9887000    


%chk=000175682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000175682

0 1
O -7.206550 1.021782 0.114319
O -6.919944 -1.524678 0.965599
N -3.703857 -0.231297 -0.579397
C -5.176236 -0.300678 -0.392774
C -2.823838 0.412330 0.415780
C 1.047841 0.545175 0.202798
C 1.367142 -0.830813 -0.056950
C -1.370503 -0.015404 0.227129
C 2.129449 1.540783 0.322898
C -5.756073 1.129672 -0.173303
C -5.499834 -1.206983 0.839034
C 2.772339 -1.250138 -0.202006
C -5.774890 -0.924249 -1.671503
C 3.501186 1.132854 0.181330
C -0.325434 0.914993 0.334437
C 3.827189 -0.280745 -0.083658
C 0.291137 -1.763521 -0.172018
C -1.045372 -1.374824 -0.036631
C 1.851152 2.917644 0.580944
C 3.120657 -2.611050 -0.460074
C 4.523716 2.122467 0.303171
C 5.177972 -0.721025 -0.227413
C 2.871806 3.870708 0.696748
C 4.454149 -3.018917 -0.597764
C 4.225063 3.468009 0.555758
C 5.495571 -2.062317 -0.479823
H -3.431867 -0.027723 -1.547683
H -3.163290 0.097980 1.422184
H -2.864336 1.528754 0.409043
H -5.592303 1.737225 -1.087959
H -5.245590 1.614728 0.684669
H -4.973794 -2.167865 0.711446
H -5.129441 -0.723197 1.771711
H -5.358504 -1.934963 -1.824977
H -5.535593 -0.304520 -2.558289
H -6.869373 -1.007640 -1.588047
H -0.589576 1.959722 0.526264
H 0.503146 -2.817104 -0.371500
H -1.859416 -2.098546 -0.144167
H 0.817088 3.252688 0.695077
H 2.336572 -3.366501 -0.554965
H 5.573852 1.837881 0.198941
H 5.998323 -0.004087 -0.140356
H 2.624976 4.919236 0.895494
H 4.689328 -4.070354 -0.795103
H 5.032656 4.202709 0.644041
H 6.541923 -2.368618 -0.584996
H -7.591481 1.910744 0.308818
H -7.412039 -0.662227 0.848821


