%chk=000146939.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146939

0 1
 O   -1.120000     -0.9260000      0.2698000    
 O  -0.7202000       2.631600      0.1698000    
 O    3.194800      -4.778600      6.8599999E-02
 O   -3.548600       1.489500      0.9334000    
 N    1.934300      0.5833000      4.0899999E-02
 N   -3.786500     -0.5258000     -0.2041000    
 N   -5.805700      -1.686900     -0.8001000    
 N   -5.974000      0.2752000      0.3177000    
 N   -7.066600      -1.308300     -0.5480000    
 N   -7.214100     -0.1516000      0.1128000    
 C   0.5707000      0.5187000      0.1307000    
 C    2.430600     -0.7108000      3.5300002E-02
 C   0.2285000     -0.7849000      0.1799000    
 C    1.361900      -1.616700      0.1235000    
 C  -0.5987000       1.301900      0.1900000    
 C    2.681100       1.759600     -3.2200001E-02
 C   -1.594500      0.3544000      0.2739000    
 C    1.608300      -2.998000      0.1357000    
 C    3.757300      -1.152800     -4.2199999E-02
 C    2.933100      -3.440700      5.8300000E-02
 C    3.988000      -2.532700     -2.9100001E-02
 C    3.889400       1.762100     -0.7165000    
 C    2.206200       2.911800      0.5802000    
 C   -3.009300      0.5127000      0.3614000    
 C    4.636100       2.937900     -0.7899000    
 C    2.952900       4.087700      0.5067000    
 C    4.167900       4.100800     -0.1783000    
 C   -1.484100       3.223500     -0.8961000    
 C    4.563100      -5.171000     -1.2600000E-02
 C   -5.181700     -0.6659000     -0.2397000    
 H   0.7901000      -3.709000      0.2034000    
 H    4.623500     -0.5056000     -1.5000000E-02
 H    5.031500      -2.829300     -6.9499999E-02
 H    4.239200      0.9386000      -1.327200    
 H    1.326900       2.928800       1.211000    
 H    5.567300       2.957100      -1.348700    
 H    2.599900       4.987800       1.001800    
 H    4.748400       5.016900     -0.2370000    
 H   -1.263500       2.735500      -1.851300    
 H   -1.196200       4.276100     -0.9676000    
 H   -2.552800       3.172900     -0.6781000    
 H   -3.290500      -1.294600     -0.6491000    
 H    5.133200      -4.829100      0.8580000    
 H    5.018000      -4.857500     -0.9584000    
 H    4.586000      -6.265700      3.1000001E-03
 H   -7.863000      -1.864800     -0.8399000    


%chk=000146939-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000146939

0 1
O -1.194502 -0.831509 -0.146821
O -0.533186 2.809584 -0.145137
O 2.985493 -4.861427 -0.001202
O -3.752996 1.767741 0.043836
N 1.994017 0.688371 -0.057689
N -3.806162 -0.583482 -0.184515
N -5.627266 -2.123906 -0.153948
N -6.200997 0.121617 -0.078635
N -6.980912 -1.912824 -0.106827
N -7.363532 -0.583479 -0.058688
C 0.589915 0.622632 -0.060153
C 2.460306 -0.663226 -0.048611
C 0.191924 -0.719017 -0.079652
C 1.332518 -1.579276 -0.077421
C -0.595819 1.437095 -0.134434
C 2.803567 1.872290 -0.039992
C -1.688481 0.529384 -0.154980
C 1.538613 -2.975964 -0.063469
C 3.773465 -1.165144 0.036463
C 2.861348 -3.460116 -0.005920
C 3.969645 -2.562160 0.054572
C 3.959742 1.954291 -0.856923
C 2.445046 2.963726 0.789586
C -3.146871 0.663758 -0.092957
C 4.761773 3.115151 -0.823976
C 3.246165 4.124378 0.804081
C 4.412056 4.204287 0.006967
C -1.569415 3.597355 -0.863800
C 4.332334 -5.426976 0.086401
C -5.169025 -0.825533 -0.134414
H 0.707239 -3.685067 -0.084567
H 4.634072 -0.495125 0.107222
H 4.991131 -2.946706 0.121737
H 4.205741 1.133920 -1.538103
H 1.543359 2.906025 1.405611
H 5.651111 3.173192 -1.461137
H 2.961298 4.964715 1.446313
H 5.034323 5.105225 0.027500
H -1.552080 3.326547 -1.935384
H -1.253692 4.641646 -0.727791
H -2.566750 3.405978 -0.437191
H -3.211432 -1.415599 -0.258831
H 4.838440 -5.126674 1.024918
H 4.954065 -5.131421 -0.781600
H 4.185223 -6.516944 0.079637
H -7.652615 -2.679236 -0.104778


