%chk=000154660.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154660

0 1
 O  -0.3358000      -3.386800      -1.013700    
 O   -2.971400      -2.325500       1.094700    
 N   -1.896900     -0.5899000      0.5644000    
 N   -2.667300      -1.183100       1.458100    
 C   0.2458000      -1.055100     -0.6693000    
 C  -0.4768000     -0.9000000      0.6895000    
 C    1.743900      -1.411400     -0.5406000    
 C  -0.4465000      -2.086400      -1.577100    
 C   -2.091400      0.8667000      0.5675000    
 C    2.627200     -0.2427000     -0.1780000    
 C   -3.341000       1.236900     -0.2298000    
 C   -3.574200       2.748200     -0.2215000    
 C    3.183300      0.5277000      -1.187200    
 C    2.866300      4.0100001E-02   1.157700    
 C   -4.796100       3.128100      -1.042500    
 C    3.999500       1.608200     -0.8522000    
 C    3.682500       1.120500       1.492700    
 C    4.249000       1.904600      0.4876000    
 H   0.1719000     -9.2000000E-02  -1.193900    
 H  -0.3369000      -1.851600       1.225500    
 H   3.1900000E-02 -0.1558000       1.316100    
 H    1.880900      -2.216300      0.1939000    
 H    2.113300      -1.826600      -1.488600    
 H   2.7200000E-02  -2.101500      -2.565100    
 H   -1.506000      -1.854300      -1.722900    
 H   -1.245200       1.367700      7.7299997E-02
 H   -2.136800       1.272100       1.588400    
 H   -4.225900      0.7412000      0.1883000    
 H   -3.235600      0.8876000      -1.265100    
 H   -2.696000       3.263400     -0.6279000    
 H   -3.708600       3.098500      0.8085000    
 H    2.992800      0.3068000      -2.233500    
 H    2.434600     -0.5666000       1.948400    
 H  -0.7771000      -4.001000      -1.624800    
 H   -5.699100       2.654600     -0.6442000    
 H   -4.678500       2.820800      -2.086500    
 H   -4.944100       4.212400      -1.022400    
 H    4.440100       2.219100      -1.634700    
 H    3.877800       1.350800       2.536000    
 H    4.884500       2.745800      0.7484000    


%chk=000154660-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154660

0 1
O -0.393782 -3.761515 -0.532917
O -2.230877 -3.014075 1.419764
N -1.895897 -0.814397 1.013063
N -2.747413 -1.823141 1.396764
C -0.100953 -1.286969 -0.765120
C -0.455592 -1.022943 0.725934
C 1.449594 -1.365860 -0.921410
C -0.761456 -2.580697 -1.308511
C -2.484367 0.541662 1.093792
C 2.176827 -0.094031 -0.509570
C -2.462383 1.327193 -0.235636
C -3.169306 2.694586 -0.088711
C 2.088405 1.078103 -1.307814
C 2.943953 -0.036247 0.682824
C -3.140541 3.516039 -1.395306
C 2.741645 2.270896 -0.925810
C 3.599781 1.155316 1.070999
C 3.498940 2.314992 0.268961
H -0.472176 -0.438847 -1.376941
H -0.119966 -1.885848 1.333330
H 0.075899 -0.120374 1.073396
H 1.809116 -2.235630 -0.340836
H 1.659577 -1.589435 -1.986134
H -0.395895 -2.767834 -2.334304
H -1.864858 -2.457300 -1.351642
H -1.939888 1.116613 1.870411
H -3.523085 0.398870 1.440371
H -2.961531 0.731362 -1.025001
H -1.416952 1.495436 -0.561648
H -2.684087 3.274326 0.722836
H -4.220161 2.533273 0.225807
H 1.516143 1.049392 -2.244456
H 3.035823 -0.935087 1.305320
H -0.962611 -3.750016 0.291727
H -3.642579 2.972942 -2.217674
H -2.100975 3.721784 -1.712434
H -3.653235 4.486773 -1.269830
H 2.668763 3.161563 -1.560626
H 4.191483 1.176449 1.993317
H 4.009918 3.237876 0.565216


