%chk=000050071.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050071

0 1
 O   -2.819200     -0.3104000      -1.134400    
 O    1.567000       1.300600     -0.4322000    
 O   0.5804000       2.986600      0.7569000    
 N    5.243300       1.571800     -0.5767000    
 N  -0.6776000       1.287500     -0.2577000    
 C   -1.144800      -4.210800     -0.4785000    
 C  -2.4400000E-02  -4.483800      0.5294000    
 C   -1.897800      -2.905300     -0.2124000    
 C    1.089200      -3.434700      0.5007000    
 C   -3.016900      -2.694900      -1.231200    
 C    2.213600      -3.794900       1.472900    
 C   -3.746300      -1.378800      -1.000900    
 C    3.341500      -2.776700       1.421900    
 C   -3.052700      0.8092000     -0.3787000    
 C   -1.998700       1.609600      6.2100001E-02
 C   -4.366800       1.144000     -5.1300000E-02
 C    3.919900       1.014700     -0.8132000    
 C    2.850400       1.875300     -0.1597000    
 C   -2.258800       2.744700      0.8301000    
 C   -4.626700       2.279000      0.7167000    
 C   -3.572800       3.079300       1.157400    
 C   0.4884000       1.962400      9.1200002E-02
 C    6.195100       1.090900      -1.581000    
 C    5.714800       1.234600      0.7687000    
 H  -0.7233000      -4.193700      -1.491100    
 H   -1.852500      -5.048200     -0.4449000    
 H  -0.4498000      -4.541300       1.538700    
 H   0.4030000      -5.470000      0.3101000    
 H   -2.316600      -2.920800      0.8009000    
 H   -1.201200      -2.062500     -0.2633000    
 H   0.6941000      -2.450100      0.7733000    
 H    1.491700      -3.354700     -0.5163000    
 H   -2.583000      -2.692700      -2.238800    
 H   -3.732700      -3.523200      -1.180400    
 H    1.819700      -3.846800       2.494600    
 H    2.614900      -4.785300       1.228800    
 H   -4.538300      -1.263100      -1.749400    
 H   -4.195700      -1.419200     -9.9999997E-05
 H    3.780500      -2.727000      0.4203000    
 H    2.981400      -1.777700       1.688300    
 H    4.132900      -3.051400       2.126200    
 H    3.696400      0.9948000      -1.889000    
 H    3.837600     -2.9600000E-02 -0.4836000    
 H   -5.220100      0.5696000     -0.3992000    
 H    2.981700       1.918600      0.9266000    
 H    2.880400       2.893600     -0.5665000    
 H   -1.499800       3.414500       1.208600    
 H  -0.5525000      0.4483000     -0.8191000    
 H   -5.650200       2.544400      0.9656000    
 H   -3.776900       3.963800       1.753800    
 H    7.184700       1.531500      -1.416100    
 H    6.295200     -6.0000003E-04  -1.564500    
 H    5.882600       1.395400      -2.586100    
 H    5.775600      0.1515000      0.9272000    
 H    6.711400       1.658200      0.9391000    
 H    5.070100       1.662000       1.542600    


%chk=000050071-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050071

0 1
O -2.736094 -0.260928 -0.577513
O 1.355561 1.417224 -0.451977
O 0.432333 3.424270 0.376252
N 5.091383 1.280386 -0.500332
N -0.881176 1.539514 -0.217004
C -0.896964 -4.216919 -0.653367
C 0.275073 -4.609607 0.280750
C -1.732178 -3.019566 -0.143977
C 1.392082 -3.543405 0.378046
C -2.855438 -2.615041 -1.124698
C 2.593009 -4.000609 1.237797
C -3.667837 -1.401584 -0.662743
C 3.705708 -2.934377 1.333881
C -3.217629 0.972475 -0.097157
C -2.197998 1.957324 0.090252
C -4.564270 1.266988 0.189124
C 3.681089 0.861074 -0.667358
C 2.714682 1.998556 -0.311936
C -2.551348 3.241461 0.562619
C -4.908013 2.557207 0.662501
C -3.906559 3.534101 0.845265
C 0.290388 2.251246 -0.052361
C 6.017670 0.476601 -1.323457
C 5.518815 1.322081 0.913978
H -0.491706 -3.975631 -1.658826
H -1.566195 -5.092052 -0.788264
H -0.119312 -4.821788 1.296850
H 0.722203 -5.557771 -0.082891
H -2.174186 -3.273138 0.842532
H -1.076349 -2.145313 0.021747
H 0.985624 -2.603267 0.802247
H 1.748487 -3.294764 -0.644048
H -2.420277 -2.393676 -2.119161
H -3.559067 -3.461122 -1.265228
H 2.235006 -4.255905 2.256275
H 3.011351 -4.936087 0.812473
H -4.473528 -1.160303 -1.385649
H -4.119212 -1.573448 0.336692
H 4.102212 -2.684475 0.330978
H 3.319766 -1.999616 1.783554
H 4.551078 -3.284896 1.954505
H 3.518519 0.587934 -1.725708
H 3.427670 -0.039182 -0.053373
H -5.342535 0.511102 0.048801
H 2.840514 2.365296 0.722276
H 2.828291 2.852100 -1.002115
H -1.766116 3.986553 0.708492
H -0.795622 0.581440 -0.569253
H -5.954952 2.788904 0.884963
H -4.172983 4.531083 1.211468
H 7.041490 0.880992 -1.229315
H 6.047726 -0.604652 -1.030423
H 5.723775 0.536919 -2.386188
H 5.496326 0.314140 1.403959
H 6.550303 1.711602 0.976101
H 4.870810 1.998747 1.496342


