%chk=000053247.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053247

0 1
 O    2.886300     -0.4101000     -0.2835000    
 N   -3.265200       1.008400      0.4134000    
 N   -2.826400       2.030500     -0.4726000    
 C   -2.750900     -0.2758000     -9.7300000E-02
 C   -1.261000     -0.3111000     -0.1464000    
 C   -3.342100      -1.417700      0.7496000    
 C  -0.6073000     -0.4763000      -1.367400    
 C  -0.5212000     -0.1791000       1.028800    
 C    1.526400     -0.3775000     -0.2381000    
 C   0.7864000     -0.5096000      -1.413200    
 C   0.8726000     -0.2123000      0.9830000    
 C    3.587400      0.3399000      0.7072000    
 C    4.915100      0.7907000      0.1366000    
 H   -3.151500     -0.4251000      -1.110900    
 H   -2.982900      -2.390000      0.3935000    
 H   -4.436300      -1.423200      0.6853000    
 H   -3.071600      -1.330900       1.808000    
 H   -1.168400     -0.5804000      -2.292200    
 H   -1.011300     -5.1600002E-02   1.990400    
 H   -4.284400      0.9898000      0.4288000    
 H    1.290300     -0.6382000      -2.367200    
 H    1.410000     -0.1328000       1.923300    
 H    3.034800       1.240100       1.004700    
 H    3.757100     -0.2934000       1.585000    
 H   -3.307200       1.938300      -1.367200    
 H   -3.107800       2.935400     -9.7700000E-02
 H    5.485300       1.361300      0.8750000    
 H    5.511200     -7.1500003E-02 -0.1800000    
 H    4.762000       1.414200     -0.7506000    


%chk=000053247-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053247

0 1
O 2.886864 -0.007004 -0.434953
N -3.487927 0.817867 0.555609
N -3.424693 2.100121 -0.085461
C -2.877115 -0.322598 -0.178613
C -1.353586 -0.183731 -0.234479
C -3.297981 -1.634217 0.528792
C -0.627756 -0.610462 -1.376075
C -0.630171 0.328214 0.867365
C 1.488632 -0.034304 -0.298155
C 0.777873 -0.543475 -1.413775
C 0.780424 0.409029 0.848099
C 3.677453 0.511551 0.697644
C 5.145349 0.422560 0.288491
H -3.250393 -0.365201 -1.235410
H -2.840290 -2.505808 0.031151
H -4.397791 -1.763474 0.510724
H -2.962167 -1.620086 1.580807
H -1.169442 -1.000072 -2.247728
H -1.193550 0.674677 1.741737
H -4.455060 0.624310 0.844542
H 1.344326 -0.871319 -2.291006
H 1.308665 0.812456 1.717486
H 3.380375 1.560198 0.907398
H 3.473648 -0.099322 1.601582
H -3.570021 2.064172 -1.109494
H -2.547507 2.576455 0.151647
H 5.791106 0.795086 1.104492
H 5.424593 -0.622175 0.069573
H 5.335544 1.028551 -0.613692


