%chk=000154062.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154062

0 1
 O   -2.123100      0.9038000     -0.2241000    
 O   -3.917000      -2.212500      0.4756000    
 O   -5.968900     -0.1268000      0.8054000    
 O   -5.504000       2.045800      -1.030500    
 N   -1.247700      -1.124200      0.5590000    
 N    4.289300      -1.321400      -1.253800    
 C   -3.662300     -0.8114000      0.5701000    
 C   -2.345900     -0.5045000     -0.1533000    
 C   -4.832400     -4.6500001E-02 -5.6499999E-02
 C   -4.486800       1.428000     -0.2494000    
 C   -3.144600       1.577900     -0.9503000    
 C   1.7000001E-02 -0.8407000     -0.1000000    
 C    1.189300      -1.451800      0.6716000    
 C    2.509600      -1.153100      2.4200000E-02
 C    3.323300     -3.4000002E-02  0.2910000    
 C    4.445800     -0.1610000     -0.5299000    
 C    3.109600      -1.930900     -0.9197000    
 C    3.230700       1.082600       1.145500    
 C    5.484800      0.7765000     -0.5389000    
 C    4.262300       2.028400       1.147000    
 C    5.371100       1.875800      0.3169000    
 H   -3.589200     -0.5545000       1.635100    
 H   -2.385100     -0.9152000      -1.172100    
 H   -5.128200     -0.5126000      -1.004600    
 H   -4.464300       1.932800      0.7236000    
 H   -3.179200       1.205500      -1.981900    
 H   -2.875400       2.637800      -1.016200    
 H   -1.391500      -2.131800      0.6177000    
 H   8.7000001E-03  -1.238100      -1.123300    
 H   0.1883000      0.2403000     -0.1738000    
 H    1.061000      -2.540300      0.7409000    
 H    1.194700      -1.077900       1.703600    
 H   -4.765600      -2.383800      0.9186000    
 H   -6.687900      0.3765000      0.3863000    
 H   -5.522200       1.610900      -1.900000    
 H    2.817100      -2.859000      -1.390400    
 H    4.950000      -1.672000      -1.933400    
 H    2.372900       1.217800       1.798000    
 H    6.348300      0.6585000      -1.184800    
 H    4.196200       2.891900       1.803600    
 H    6.160800       2.622600      0.3342000    


%chk=000154062-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000154062

0 1
O -2.240304 1.028486 0.539191
O -3.747980 -2.281365 -0.410285
O -6.053587 -0.660115 -0.018118
O -5.726432 2.248894 -0.347891
N -1.238218 -1.140798 0.362221
N 4.679142 -1.752036 -0.529421
C -3.672913 -0.942763 0.184013
C -2.292180 -0.337756 -0.136434
C -4.775286 -0.030870 -0.368051
C -4.660046 1.389134 0.211186
C -3.238124 1.938782 -0.036922
C 0.115354 -1.005139 -0.192387
C 1.181671 -1.503540 0.818887
C 2.592790 -1.325619 0.316285
C 3.307010 -0.065394 0.171182
C 4.612106 -0.363954 -0.361491
C 3.463153 -2.324313 -0.119283
C 2.973043 1.287319 0.451151
C 5.572355 0.639098 -0.621236
C 3.926209 2.292017 0.195172
C 5.211202 1.971969 -0.337062
H -3.784466 -1.001360 1.287940
H -2.212307 -0.125357 -1.233406
H -4.674652 0.022623 -1.478306
H -4.875362 1.367161 1.292521
H -3.071099 2.069660 -1.134713
H -3.095913 2.908384 0.465896
H -1.511077 -2.070489 0.687608
H 0.241095 -1.557634 -1.152360
H 0.290098 0.064274 -0.404312
H 0.993453 -2.573273 1.040593
H 1.026988 -0.950337 1.765181
H -4.693712 -2.575977 -0.338860
H -6.771808 0.006269 -0.175986
H -5.498839 2.470200 -1.288664
H 3.306994 -3.401064 -0.164304
H 5.483295 -2.266094 -0.880998
H 1.991908 1.545912 0.865855
H 6.562103 0.398678 -1.026035
H 3.683119 3.339022 0.408269
H 5.930720 2.776766 -0.525624


