%chk=000041595.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041595

0 1
 O   0.9813000     -0.2244000     -5.7599999E-02
 O   -3.606800      0.5854000     -0.8985000    
 O   0.3059000      -2.299600      0.6259000    
 N    4.620200      0.3038000      0.1998000    
 N   -1.212400     -0.6931000     -0.1451000    
 C    5.391300       1.541400      0.3839000    
 C    5.200600     -0.5308000     -0.8615000    
 C    6.845900       1.236600      0.7457000    
 C    6.648900     -0.9032000     -0.5407000    
 C    7.500000      0.3380000     -0.2975000    
 C    3.221900      0.6119000     -9.8800004E-02
 C    2.328800     -0.5733000      0.2311000    
 C   3.3700000E-02  -1.189600      0.1850000    
 C   -3.672800       2.914400     -0.3299000    
 C   -4.345800       1.559300     -0.1647000    
 C   -4.405300       4.005600      0.4457000    
 C   -2.462200      -1.346800     -5.2800000E-02
 C   -3.635800     -0.6948000     -0.4314000    
 C   -3.705600       5.348800      0.3131000    
 C   -2.514800      -2.657300      0.4226000    
 C   -4.861800      -1.353300     -0.3346000    
 C   -3.740800      -3.315500      0.5194000    
 C   -4.914200      -2.663600      0.1409000    
 H    4.958800       2.133300       1.199800    
 H    5.357600       2.160100     -0.5226000    
 H    5.164000     -1.3300000E-02  -1.829500    
 H    4.645000      -1.467300     -0.9748000    
 H    7.409500       2.172300      0.8330000    
 H    6.885600      0.7464000       1.726800    
 H    6.675000      -1.544600      0.3495000    
 H    7.073400      -1.485300      -1.366400    
 H    8.503700      4.7699999E-02  3.1700000E-02
 H    7.616100      0.8921000      -1.237100    
 H    3.078500      0.9347000      -1.138500    
 H    2.873800       1.453100      0.5163000    
 H    2.416700     -0.8277000       1.294600    
 H    2.591200      -1.451900     -0.3668000    
 H   -2.631100       2.843400      7.7000000E-03
 H   -3.625300       3.171100      -1.395600    
 H   -5.369000       1.595100     -0.5558000    
 H   -4.385100       1.295400      0.9002000    
 H   -5.434300       4.096500      7.8500003E-02
 H   -4.462000       3.735400       1.506600    
 H   -1.240700      0.2604000     -0.4982000    
 H   -3.658000       5.664500     -0.7340000    
 H   -4.247800       6.115700      0.8750000    
 H   -2.684300       5.299500      0.7042000    
 H   -1.652900      -3.229600      0.7348000    
 H   -5.783700     -0.8623000     -0.6338000    
 H   -3.783100      -4.336000      0.8889000    
 H   -5.868500      -3.177000      0.2145000    


%chk=000041595-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041595

0 1
O 1.099983 -0.242131 0.445693
O -3.233375 0.762505 0.146973
O 0.481551 -2.518391 0.381765
N 4.803674 0.238045 0.168577
N -1.094000 -0.749772 0.292095
C 5.654693 1.429777 0.417149
C 5.276006 -0.529644 -1.013135
C 7.122218 1.018488 0.654002
C 6.731443 -1.002264 -0.823701
C 7.662315 0.198998 -0.540511
C 3.358322 0.557596 0.104261
C 2.525295 -0.643261 0.573035
C 0.169983 -1.300259 0.373705
C -3.820455 3.112468 0.098296
C -4.376426 1.688076 0.045944
C -4.937398 4.174102 -0.037382
C -2.326084 -1.440778 0.193575
C -3.495834 -0.622717 0.113586
C -4.387108 5.615164 0.021656
C -2.461832 -2.847766 0.169514
C -4.774491 -1.204565 0.011323
C -3.748276 -3.427111 0.067150
C -4.898943 -2.615142 -0.011792
H 5.261695 1.957955 1.305830
H 5.612885 2.148056 -0.445295
H 5.210829 0.096488 -1.943451
H 4.614265 -1.402272 -1.161303
H 7.736334 1.925307 0.816547
H 7.173665 0.406692 1.575402
H 6.768508 -1.709669 0.026967
H 7.060868 -1.547452 -1.729168
H 8.693517 -0.147414 -0.338719
H 7.708514 0.847524 -1.440254
H 3.026851 0.857710 -0.919611
H 3.151593 1.412269 0.774112
H 2.739333 -0.881160 1.629657
H 2.698239 -1.548864 -0.033890
H -3.279609 3.255877 1.053464
H -3.080445 3.240288 -0.715258
H -4.912192 1.503602 -0.908515
H -5.075082 1.500790 0.887731
H -5.476328 4.023021 -0.994793
H -5.684968 4.031337 0.769480
H -1.158197 0.272557 0.298225
H -3.664181 5.797582 -0.795271
H -5.198579 6.359384 -0.072008
H -3.865747 5.801154 0.979201
H -1.563985 -3.466419 0.230055
H -5.669351 -0.578640 -0.049987
H -3.843404 -4.517836 0.049442
H -5.892991 -3.067684 -0.091369


