%chk=000139174.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139174

0 1
 O   -2.957100     -0.3012000     -5.0000002E-04
 O    2.887500     -0.3989000      5.0000002E-04
 O   -1.328900      -1.928600     -8.9999998E-04
 O    1.191900      -1.955800      6.9999998E-04
 N   0.1158000       2.394300       0.000000    
 N    1.203300       1.604700      7.9999998E-04
 C  -0.7233000      0.3776000     -6.0000003E-04
 C   0.6844000      0.3739000      3.0000001E-04
 C   -1.063200       1.708400     -7.9999998E-04
 C   -1.645000     -0.7180000     -1.1000000E-03
 C    1.561500     -0.7632000      8.9999998E-04
 C   0.2720000       3.829100       0.000000    
 C   -3.975900      -1.307100      3.9999999E-04
 C    3.862700      -1.447000     -1.9999999E-04
 C   -5.332300     -0.6352000      8.9999998E-04
 C    5.246500     -0.8331000     -6.0000003E-04
 H   -2.017700       2.217800     -1.4000000E-03
 H   0.8239000       4.114700      0.8990000    
 H   0.8251000       4.114600     -0.8982000    
 H  -0.7121000       4.303900     -6.9999998E-04
 H   -3.869600      -1.931400     -0.8934000    
 H   -3.868600      -1.930800      0.8945000    
 H    3.730200      -2.066400      0.8936000    
 H    3.729400      -2.065700     -0.8943000    
 H   -6.136100      -1.376600      1.6000000E-03
 H   -5.443400      8.0000004E-03  0.8803000    
 H   -5.444200      7.3000002E-03 -0.8786000    
 H    6.018200      -1.607900     -1.1000000E-03
 H    5.384700     -0.1953000     -0.8800000    
 H    5.385400     -0.1959000      0.8790000    


%chk=000139174-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139174

0 1
O -3.024828 -0.282920 -0.000344
O 3.003655 -0.393752 0.000044
O -1.523897 -2.072265 -0.002424
O 1.393531 -2.079091 0.003145
N 0.061886 2.355402 0.000124
N 1.198178 1.560992 0.000863
C -0.728639 0.259458 -0.000609
C 0.718891 0.272214 0.000576
C -1.097775 1.619312 -0.000654
C -1.719528 -0.839195 -0.001918
C 1.684511 -0.861961 0.001779
C 0.221250 3.812175 0.000273
C -4.136169 -1.277539 -0.000461
C 4.050232 -1.458871 0.000691
C -5.438992 -0.483380 0.001291
C 5.397479 -0.743956 -0.001634
H -2.090282 2.059502 -0.001371
H 0.779339 4.127067 0.896810
H 0.780464 4.127137 -0.895538
H -0.772355 4.285861 -0.000330
H -4.032908 -1.918908 -0.894735
H -4.031568 -1.920639 0.892411
H 3.906104 -2.091909 0.895506
H 3.904459 -2.094627 -0.891927
H -6.299378 -1.177304 0.001277
H -5.510485 0.156249 0.897841
H -5.511850 0.157962 -0.893927
H 6.215803 -1.487202 -0.001261
H 5.503161 -0.108162 -0.897065
H 5.504809 -0.105448 0.891666


