%chk=000038310.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038310

0 1
 O  -2.7999999E-03  0.9188000       2.622800    
 N   -2.230900      0.5951000     -0.3969000    
 N    1.152600       2.612800       1.624600    
 C   0.7476000      0.5499000      0.3000000    
 C   3.3000000E-02   1.479400     -0.7624000    
 C   -1.437100       1.820000     -0.4563000    
 C   -3.618800      0.9001000     -4.8200000E-02
 C   -2.170800     -0.1175000      -1.673100    
 C    2.246100      0.3384000     -7.0799999E-02
 C   0.1082000     -0.8637000      0.4070000    
 C   0.6068000       1.343400       1.640900    
 C   -4.438000     -0.3866000     -5.2499998E-02
 C   -3.683600       1.586700       1.313300    
 C   -2.776600      0.7528000      -2.769700    
 C  -0.7282000     -0.4903000      -2.003400    
 C    3.015000     -0.3800000      0.7955000    
 C   0.6266000      -1.854500     -0.3743000    
 C    2.690800      0.8848000      -1.237400    
 C  -0.9310000      -1.025200       1.276000    
 C    4.356400     -0.5696000      0.4637000    
 C   5.3399999E-02  -3.122500     -0.2783000    
 C    4.032300      0.6951000      -1.569100    
 C   -1.504100      -2.293300       1.372000    
 C    4.865000     -3.2200001E-02 -0.7186000    
 C   -1.011900      -3.341900      0.5950000    
 H   0.1962000       1.456900      -1.843600    
 H   0.5056000       2.469500     -0.6453000    
 H   -1.813100       2.563400      -1.168200    
 H   -1.443400       2.337200      0.5067000    
 H   -4.086800       1.609200     -0.7403000    
 H   -2.712200      -1.067900      -1.626100    
 H   -4.666200     -0.7501000      -1.059200    
 H   -5.414000     -0.2091000      0.4161000    
 H   -3.964700      -1.189600      0.5187000    
 H   -4.726500       1.660400       1.645800    
 H   -3.312800       2.615900       1.289800    
 H   -3.148400       1.036100       2.091500    
 H   -3.832300      0.9958000      -2.628200    
 H   -2.758800      0.1901000      -3.713600    
 H   -2.224800       1.674600      -2.975000    
 H   0.2980000     -0.2480000      -1.838000    
 H  -0.6636000     -0.1927000      -3.071800    
 H  -0.7677000      -1.575000      -2.194700    
 H    2.634700     -0.7917000       1.724500    
 H    1.466300      -1.768000      -1.055900    
 H    2.124600       1.473200      -1.941400    
 H   -1.437000     -0.2751000       1.856600    
 H    1.075400       3.214400       2.438200    
 H    1.724900       2.964600      0.8647000    
 H    5.005600      -1.133100       1.127500    
 H   0.4386000      -3.940800     -0.8796000    
 H    4.431100       1.116400      -2.487500    
 H   -2.343400      -2.463100       2.040500    
 H    5.909900     -0.1786000     -0.9762000    
 H   -1.460100      -4.328400      0.6677000    


%chk=000038310-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038310

0 1
O 0.281289 2.916557 0.151834
N -2.550151 0.326992 -1.568223
N 2.421463 2.459369 0.869866
C 0.969661 0.516032 0.226508
C -0.142937 0.281660 -0.864617
C -1.605346 0.571686 -0.437868
C -3.456793 -0.844369 -1.337011
C -3.207680 1.571100 -2.086026
C 2.312212 -0.123986 -0.225807
C 0.483860 -0.093278 1.567229
C 1.186979 2.062730 0.398203
C -4.471986 -1.041843 -2.486001
C -2.627190 -2.142363 -1.181369
C -4.179175 2.249361 -1.074113
C -2.155153 2.578764 -2.600804
C 3.246092 -0.624881 0.723261
C 0.350083 -1.504747 1.669415
C 2.683506 -0.148642 -1.596800
C 0.102623 0.698295 2.678139
C 4.500339 -1.134736 0.318200
C -0.141503 -2.105673 2.846771
C 3.935341 -0.660207 -2.004392
C -0.387768 0.098418 3.861854
C 4.853289 -1.154599 -1.050010
C -0.512657 -1.305148 3.953363
H -0.078954 -0.769697 -1.200981
H 0.067175 0.915535 -1.743261
H -1.663919 1.618642 -0.096609
H -1.878900 -0.056827 0.431758
H -4.041192 -0.706525 -0.388546
H -3.801734 1.260755 -2.964653
H -5.229823 -0.240497 -2.531453
H -5.009001 -1.996406 -2.337714
H -3.947349 -1.088601 -3.458602
H -3.298902 -2.997968 -0.980573
H -1.908099 -2.081566 -0.346298
H -2.065328 -2.342984 -2.112441
H -4.940181 1.535765 -0.706305
H -4.708515 3.094665 -1.552847
H -3.632691 2.648864 -0.199934
H -1.518545 2.103026 -3.368720
H -1.504471 2.952641 -1.789968
H -2.660798 3.450005 -3.057872
H 2.980557 -0.639167 1.786365
H 0.643729 -2.136563 0.822572
H 1.994410 0.232035 -2.356670
H 0.171469 1.789923 2.622970
H 2.584607 3.456294 1.009922
H 3.184946 1.795396 0.997580
H 5.196990 -1.519782 1.071721
H -0.235278 -3.196311 2.900891
H 4.193916 -0.670900 -3.069391
H -0.676796 0.731346 4.708665
H 5.823695 -1.551967 -1.367381
H -0.894317 -1.769125 4.869675


