%chk=000055901.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055901

0 1
 O  -0.4598000       1.025300       1.757800    
 O   0.7684000      -1.906800      0.6709000    
 O    1.922000       2.706800      0.1476000    
 N   -4.576200      0.3215000     -0.3473000    
 N  -0.8644000      0.8477000     -0.5199000    
 C   -3.142100      4.6999999E-03 -0.2946000    
 C   -2.976800      -1.001400      -1.435700    
 C   -4.354000      -1.628600      -1.622600    
 C   -5.238000     -0.9645000     -0.5802000    
 C   -2.246500       1.222900     -0.4808000    
 C   -5.070400      0.9645000      0.8642000    
 C   -6.551900       1.265200      0.7681000    
 C  -6.8200000E-02  0.7776000      0.6204000    
 C    1.352500      0.3982000      0.4085000    
 C    1.702400     -0.9379000      0.4448000    
 C    2.285200       1.391800      0.1811000    
 C    3.036300      -1.294000      0.2461000    
 C    3.619000       1.035700     -1.7800000E-02
 C    3.994600     -0.3072000      1.4800000E-02
 C    3.458100      -2.726400      0.2734000    
 C    4.659600       2.077200     -0.2681000    
 C    3.385100      -3.377400      -1.104500    
 C    4.828200       2.381500      -1.753700    
 C   0.5367000      -2.276400       2.027700    
 H   -2.895200     -0.5017000      0.6500000    
 H   -2.667000     -0.5233000      -2.372900    
 H   -2.228200      -1.762000      -1.187300    
 H   -4.326300      -2.715400      -1.494500    
 H   -4.721500      -1.418600      -2.634100    
 H   -6.258200     -0.8553000     -0.9613000    
 H   -5.264400      -1.581000      0.3277000    
 H   -2.390100       1.943800      0.3309000    
 H   -2.469300       1.737200      -1.422800    
 H   -4.551500       1.918100       1.012600    
 H   -4.878000      0.3532000       1.755000    
 H  -0.4527000      0.6271000      -1.422400    
 H   -7.162400      0.3570000      0.7861000    
 H   -6.862400       1.876800       1.622300    
 H   -6.789100       1.826700     -0.1421000    
 H    5.033900     -0.5851000     -0.1452000    
 H    2.861700      -3.308200      0.9838000    
 H    4.488100      -2.798500      0.6461000    
 H    5.622300       1.745500      0.1415000    
 H    4.421600       3.001000      0.2729000    
 H    2.361900      -3.365100      -1.494800    
 H    3.714600      -4.419700      -1.047700    
 H    4.026500      -2.857100      -1.823900    
 H    5.123300       1.485900      -2.311000    
 H    5.602300       3.141800      -1.898000    
 H    3.896600       2.757500      -2.189900    
 H   0.9674000       2.803900      0.2931000    
 H   0.1970000      -3.315700       2.046000    
 H    1.441000      -2.192800       2.639800    
 H  -0.2515000      -1.647200       2.450500    


%chk=000055901-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055901

0 1
O -0.573342 1.739757 0.092573
O 1.012198 -2.176750 -0.605473
O 1.729495 2.564121 0.550726
N -4.646843 0.290170 -0.064775
N -0.974865 -0.353146 -0.813103
C -3.286137 -0.265926 0.210102
C -3.521622 -1.761568 0.579725
C -4.985077 -2.044781 0.144842
C -5.670089 -0.684729 0.386576
C -2.397166 -0.055776 -1.048246
C -4.844485 1.692792 0.358453
C -6.096436 2.331245 -0.270817
C -0.131124 0.559203 -0.244195
C 1.312462 0.221256 -0.067816
C 1.880254 -1.073484 -0.283780
C 2.202433 1.296039 0.290191
C 3.267711 -1.312113 -0.219772
C 3.610264 1.079739 0.387425
C 4.101309 -0.210151 0.119958
C 3.874324 -2.663434 -0.569794
C 4.526705 2.236466 0.740963
C 4.040577 -2.847447 -2.102413
C 4.764998 3.193294 -0.458594
C 0.594112 -2.953243 0.587559
H -2.794912 0.269641 1.052641
H -2.793111 -2.433077 0.089117
H -3.420637 -1.903909 1.671601
H -5.452804 -2.864655 0.716727
H -5.032399 -2.300197 -0.929425
H -6.607480 -0.571968 -0.186832
H -5.917410 -0.563137 1.472999
H -2.488149 0.997489 -1.365485
H -2.764555 -0.698836 -1.867441
H -3.949439 2.267156 0.054272
H -4.908569 1.771345 1.475449
H -0.553752 -1.255441 -1.077850
H -7.022099 1.823064 0.055582
H -6.175474 3.393942 0.023125
H -6.041727 2.272850 -1.372327
H 5.184474 -0.378716 0.182009
H 3.249300 -3.491031 -0.188076
H 4.862536 -2.755124 -0.080087
H 5.496452 1.841775 1.099156
H 4.075666 2.819356 1.565024
H 3.057573 -2.800516 -2.602777
H 4.502233 -3.825168 -2.334095
H 4.680521 -2.053744 -2.528341
H 5.227479 2.658584 -1.308409
H 5.433994 4.023906 -0.167324
H 3.807406 3.624408 -0.796559
H 0.686876 2.512898 0.454452
H 0.032134 -3.818860 0.203196
H 1.476839 -3.297078 1.155657
H -0.050425 -2.337692 1.244305


