%chk=000004045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004045

0 1
 O    1.404600     -0.4992000     -0.6896000    
 O   -1.085300      -1.304700     -5.9099998E-02
 O    6.827100     -2.7200000E-02  0.2624000    
 N   -5.340900      0.4167000      0.4053000    
 N   -1.654400      0.7883000      0.7812000    
 C   -3.979600      0.7597000      1.4500000E-02
 C   -6.312100       1.111100     -0.4426000    
 C   -5.549400      -1.030900      0.3337000    
 C   -3.015200      0.4812000       1.157900    
 C   -6.178200      0.6835000      -1.894300    
 C   -6.944300      -1.408500      0.8028000    
 C  -0.8023000     -0.1385000      0.2014000    
 C   0.5589000      0.4577000     -8.7800004E-02
 C    2.753900     -0.3818000     -0.4525000    
 C    3.315300      0.8747000     -0.2247000    
 C    3.561400      -1.519200     -0.4400000    
 C    5.491500     -0.1437000      2.8400000E-02
 C    4.684000      0.9937000      1.5699999E-02
 C    4.930100      -1.400100     -0.1996000    
 C    7.335000       1.287100      0.4870000    
 H   -3.652000      0.2199000     -0.8836000    
 H   -3.901300       1.830000     -0.2207000    
 H   -7.339800      0.9721000     -9.0899996E-02
 H   -6.145800       2.194000     -0.3708000    
 H   -5.342900      -1.464900     -0.6510000    
 H   -4.860500      -1.531300       1.023400    
 H   -3.255600       1.105000       2.026200    
 H   -3.040000     -0.5641000       1.479100    
 H   -6.864900       1.288800      -2.498700    
 H   -6.466800     -0.3566000      -2.069100    
 H   -5.182200      0.8533000      -2.312100    
 H   -7.196500     -0.9265000       1.753600    
 H   -7.716300      -1.165400      6.6699997E-02
 H   -6.995700      -2.491200      0.9645000    
 H   -1.321000       1.733800      0.9455000    
 H   0.9516000      0.8045000      0.8774000    
 H   0.4294000       1.308600     -0.7664000    
 H    2.724500       1.785600     -0.2530000    
 H    3.129300      -2.500400     -0.6167000    
 H    5.055600       1.999600      0.1790000    
 H    5.554000      -2.289600     -0.1910000    
 H    7.205300       1.924500     -0.3942000    
 H    6.906900       1.735100       1.390200    
 H    8.412500       1.192500      0.6571000    


%chk=000004045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004045

0 1
O 1.056885 0.782839 0.351725
O -1.587315 -0.538197 2.473328
O 6.526383 1.094468 -0.974196
N -5.164649 0.173682 -0.329790
N -1.551437 0.894122 0.620692
C -3.691367 0.039481 -0.383795
C -5.846519 -0.022237 -1.633572
C -5.766413 -0.553402 0.818907
C -3.009188 1.074843 0.551200
C -5.819040 -1.462534 -2.217140
C -7.193384 -0.082587 1.156148
C -0.962134 0.091577 1.563821
C 0.566557 -0.012478 1.483109
C 2.449078 0.794604 0.109099
C 3.398383 0.092193 0.882179
C 2.871015 1.577425 -0.995160
C 5.193482 0.947464 -0.551469
C 4.774076 0.168773 0.551212
C 4.232804 1.653254 -1.322971
C 7.552985 0.377631 -0.216726
H -3.337799 -0.978382 -0.095596
H -3.353192 0.216164 -1.422982
H -6.896598 0.308265 -1.528084
H -5.377703 0.671584 -2.358014
H -5.766160 -1.660406 0.657215
H -5.118389 -0.376992 1.696985
H -3.240494 2.095196 0.199082
H -3.406662 0.964652 1.574529
H -6.315371 -1.483139 -3.205419
H -6.346099 -2.178973 -1.561399
H -4.781634 -1.821067 -2.350237
H -7.206749 1.010550 1.312915
H -7.913664 -0.325090 0.353790
H -7.547488 -0.575873 2.079970
H -0.931391 1.333232 -0.065326
H 0.837419 -1.079919 1.361307
H 0.992747 0.355505 2.437414
H 3.095270 -0.516195 1.739315
H 2.121596 2.116694 -1.582511
H 5.495020 -0.382185 1.162176
H 4.577786 2.251275 -2.171587
H 7.585432 0.713760 0.838522
H 7.388888 -0.717576 -0.251338
H 8.502931 0.625197 -0.712728


