%chk=000031128.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031128

0 1
 O   -1.424700       1.121400     -0.2566000    
 O   0.7779000       2.240700     -0.7367000    
 N   -1.351300      -1.588400      0.6193000    
 N    1.944700       1.089500      0.9163000    
 C  -0.3705000      0.6113000      0.5670000    
 C  -0.1325000     -0.8711000      0.3173000    
 C    4.070200      0.9371000     -0.3039000    
 C    3.235600       1.706300      0.7130000    
 C    4.323300     -0.4986000      0.1560000    
 C   0.8248000       1.413000      0.1696000    
 C   -2.542300     -0.9860000      0.2350000    
 C   -2.564800      0.3525000     -0.1925000    
 C    5.192400      -1.258600     -0.8457000    
 C   -3.752100      -1.686900      0.2979000    
 C   -3.755000      0.9568000     -0.6017000    
 C    5.418600      -2.697000     -0.4082000    
 C   -4.947100      -1.079900     -9.5500000E-02
 C   -4.947200      0.2379000     -0.5504000    
 H  -0.6064000      0.8212000       1.619100    
 H   0.1370000      -1.050400     -0.7314000    
 H   0.6770000      -1.271000      0.9357000    
 H    3.558600      0.9266000      -1.274100    
 H    5.025900       1.455100     -0.4461000    
 H    3.090100       2.736400      0.3703000    
 H    3.740200       1.739300       1.684300    
 H    4.815800     -0.4915000       1.136000    
 H    3.373000      -1.032100      0.2756000    
 H   -1.326300      -2.578200      0.8290000    
 H    1.866300      0.4120000       1.668600    
 H    4.713800      -1.255300      -1.832000    
 H    6.161400     -0.7575000     -0.9534000    
 H   -3.772300      -2.717800      0.6439000    
 H   -3.761300       1.986300     -0.9487000    
 H    6.043800      -3.221200      -1.137900    
 H    5.923000      -2.736900      0.5625000    
 H    4.469400      -3.235900     -0.3250000    
 H   -5.878100      -1.637600     -5.0000001E-02
 H   -5.877300      0.7053000     -0.8600000    


%chk=000031128-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031128

0 1
O -0.549068 -0.247399 -0.108085
O 1.181088 0.069663 -3.301112
N -2.887536 -0.167742 -1.735388
N 1.722291 0.587729 -1.076646
C -0.465731 -0.410996 -1.578997
C -1.624648 0.350228 -2.262172
C 4.195621 0.148144 -0.862880
C 3.075497 1.099081 -1.346934
C 4.216127 -0.074231 0.666381
C 0.899160 0.104999 -2.061560
C -3.009412 -0.451093 -0.369137
C -1.837768 -0.489492 0.448553
C 5.389608 -0.968716 1.128369
C -4.260010 -0.714689 0.249843
C -1.915113 -0.757678 1.825392
C 5.405267 -1.199772 2.654785
C -4.339570 -0.988819 1.631529
C -3.170334 -1.002695 2.428659
H -0.546452 -1.488117 -1.823886
H -1.498211 1.437302 -2.069001
H -1.559215 0.183088 -3.350075
H 4.090897 -0.823880 -1.383380
H 5.166916 0.578728 -1.182158
H 3.144732 1.243495 -2.439281
H 3.187097 2.087735 -0.858823
H 4.280806 0.907573 1.182179
H 3.262455 -0.540678 0.990379
H -3.725911 -0.134335 -2.311284
H 1.356136 0.550642 -0.120418
H 5.329938 -1.944293 0.604637
H 6.346198 -0.504510 0.812379
H -5.171496 -0.695262 -0.360818
H -0.988874 -0.777825 2.409059
H 6.256417 -1.836081 2.959155
H 5.487991 -0.240568 3.200156
H 4.475355 -1.696809 2.990012
H -5.316662 -1.186979 2.085315
H -3.229989 -1.208948 3.501852


