%chk=000085554.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085554

0 1
 O    2.923100      -1.712000     -1.6000000E-03
 O   -3.017400       1.266500     -1.8000000E-03
 N   -1.771200     -0.7325000      1.4000000E-03
 N   -4.082100     -0.7553000     -2.2000000E-03
 C    2.204200      0.5748000     -3.9999999E-04
 C  -0.4458000     -0.2969000      2.9000000E-03
 C    1.919200     -0.7908000     -9.9999997E-05
 C   0.5941000      -1.226600      1.6000000E-03
 C    1.164300       1.504400      1.0000000E-03
 C  -0.1606000       1.068500      2.6000000E-03
 C    3.616500       1.059500     -2.4999999E-03
 C   -2.944300      4.0399998E-02 -8.9999998E-04
 H   0.3794000      -2.292900      1.2000001E-03
 H    1.370400       2.571600      7.9999998E-04
 H  -0.9111000       1.846600      3.7000000E-03
 H    4.144900      0.7128000      0.8918000    
 H    4.142100      0.7129000     -0.8985000    
 H    3.668200       2.154100     -2.4999999E-03
 H   -1.904400      -1.740900      1.1000000E-03
 H    3.792000      -1.281200     -2.6000000E-03
 H   -5.009500     -0.3439000     -3.8999999E-03
 H   -4.025300      -1.768100     -1.5000000E-03


%chk=000085554-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085554

0 1
O 2.892513 -1.771310 -0.001347
O -3.089530 1.242004 -0.000076
N -1.807190 -0.748813 -0.000119
N -4.150716 -0.827527 0.000016
C 2.254475 0.624863 -0.000670
C -0.478931 -0.237882 -0.000273
C 1.912479 -0.757076 -0.000900
C 0.573689 -1.188955 -0.000707
C 1.181308 1.545638 -0.000266
C -0.172223 1.148919 -0.000064
C 3.707004 1.068310 -0.000894
C -3.008393 -0.021364 -0.000085
H 0.375134 -2.267029 -0.000928
H 1.412337 2.617921 -0.000099
H -0.982377 1.878763 0.000217
H 4.257098 0.714025 0.895217
H 4.256649 0.714531 -0.897476
H 3.774347 2.168869 -0.000589
H -1.875245 -1.768102 -0.000156
H 3.800136 -1.377533 -0.001375
H -5.044116 -0.342149 0.000116
H -4.141749 -1.845104 0.000059


