%chk=000018526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018526

2 1
 O    4.767600      0.9835000      0.7671000    
 N   -2.270900      -1.823300      0.2100000    
 N    2.538500     -0.4967000     -0.3189000    
 C  -0.8553000      -2.386500      0.1736000    
 C    1.624900      -1.701100     -6.9700003E-02
 C   0.1607000      -1.274400     -6.3800000E-02
 C   -2.405300     -0.7831000       1.363000    
 C   -2.556500      -1.004800      -1.085300    
 C    3.986700     -0.9924000     -0.4000000    
 C    2.399900      0.4724000      0.8607000    
 C   -2.405400      0.5563000      0.7052000    
 C   -2.491100      0.4306000     -0.6827000    
 C   -3.263100      -2.957900      0.3740000    
 C    2.094300      0.1501000      -1.629400    
 C    4.957200      0.1785000     -0.3941000    
 C    3.463000       1.557800      0.7929000    
 C   -2.355800       1.801500       1.308400    
 C   -2.529200       1.547200      -1.500500    
 C   -2.386900       2.934400      0.4924000    
 C   -2.473100       2.808000     -0.9028000    
 H  -0.6765000      -2.892500       1.129300    
 H  -0.8160000      -3.128100     -0.6327000    
 H    1.910500      -2.148800      0.8895000    
 H    1.815600      -2.430900     -0.8657000    
 H   3.6300000E-02 -0.5189000      0.7092000    
 H  -5.9700001E-02 -0.8154000      -1.024900    
 H   -1.596800     -0.9314000       2.084600    
 H   -3.371400     -0.9548000       1.850400    
 H   -3.579800      -1.242400      -1.398400    
 H   -1.865000      -1.302800      -1.877600    
 H    4.086100      -1.600800      -1.305200    
 H    4.152000      -1.620000      0.4837000    
 H    2.520300     -0.1184000       1.776100    
 H    1.411300      0.9378000      0.8378000    
 H   -4.272900      -2.538200      0.4042000    
 H   -3.157100      -3.633200     -0.4799000    
 H   -3.038300      -3.477300       1.309900    
 H    1.185500      0.7357000      -1.466400    
 H    2.871600      0.8348000      -1.973800    
 H    1.948700     -0.6319000      -2.380700    
 H    5.981700     -0.2067000     -0.3573000    
 H    4.889500      0.8000000      -1.292500    
 H    3.330600       2.214300     -7.4500002E-02
 H    3.398700       2.187800       1.686100    
 H   -2.294400       1.900600       2.386800    
 H   -2.601000       1.451100      -2.578500    
 H   -2.346900       3.923400      0.9406000    
 H   -2.499000       3.700400      -1.522300    


%chk=000018526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018526

2 1
O 5.150890 0.616814 0.889540
N -2.342611 -1.799900 0.223462
N 2.660771 -0.399527 -0.360725
C -0.836606 -2.132128 0.115904
C 1.557606 -1.462814 -0.148692
C 0.106857 -0.925374 -0.105861
C -2.620052 -0.803882 1.395181
C -2.855890 -1.073633 -1.061359
C 4.024043 -1.166327 -0.387591
C 2.687098 0.598478 0.830951
C -2.681791 0.546213 0.713412
C -2.815461 0.392536 -0.686746
C -3.093895 -3.115539 0.440524
C 2.449198 0.333579 -1.684602
C 5.233265 -0.218972 -0.309541
C 3.960346 1.463109 0.831254
C -2.685869 1.823131 1.307075
C -2.956480 1.512742 -1.528435
C -2.824517 2.954009 0.464891
C -2.958285 2.800420 -0.937224
H -0.580627 -2.659303 1.053222
H -0.748387 -2.852932 -0.717534
H 1.809338 -1.972909 0.798618
H 1.681605 -2.190800 -0.971782
H -0.015099 -0.195354 0.712389
H -0.151125 -0.413192 -1.048368
H -1.834084 -0.923286 2.160920
H -3.586587 -1.090933 1.847203
H -3.884251 -1.430874 -1.250887
H -2.225410 -1.371977 -1.916651
H 4.038607 -1.777312 -1.307109
H 4.019106 -1.826036 0.496589
H 2.663851 -0.016743 1.747063
H 1.780347 1.223583 0.772292
H -4.170721 -2.904336 0.516973
H -2.909473 -3.786989 -0.412558
H -2.743229 -3.586051 1.372270
H 1.563975 0.982059 -1.612316
H 3.327664 0.953513 -1.907127
H 2.316092 -0.407888 -2.487732
H 6.145951 -0.825819 -0.197716
H 5.348255 0.405123 -1.219575
H 4.002370 2.152820 -0.037382
H 3.972700 2.071315 1.749794
H -2.607308 1.949986 2.392029
H -3.083962 1.403045 -2.610594
H -2.844494 3.956335 0.903610
H -3.079923 3.685520 -1.569158


