%chk=000003981.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003981

0 1
 O   -2.572300       1.516400       1.134700    
 N  -0.4854000      -2.213000      0.1639000    
 N    5.183800     -0.2759000     -0.1579000    
 N   -4.197500      0.4922000     -0.1741000    
 C   0.7390000      -1.413400      0.4501000    
 C   0.6082000      7.8299999E-02  1.8300001E-02
 C    1.988900      -2.130600     -0.1829000    
 C   -1.838400     -0.2055000     -0.3038000    
 C   -1.697500      -1.472600      0.5432000    
 C    3.183700      -1.245800     -0.1528000    
 C    1.838700      0.9008000      1.0100000E-02
 C    3.018800      0.1520000     -6.7699999E-02
 C  -0.5747000      0.5965000     -0.3558000    
 C    4.267900      0.7505000     -7.5400002E-02
 C  -0.4748000      -3.509500      0.8492000    
 C   -2.893800      0.6797000      0.2867000    
 C    4.535500      -1.491200     -0.2073000    
 C    1.967900       2.293300      8.0600001E-02
 C    4.414200       2.136700     -7.4000000E-03
 C    3.234900       2.894100      7.0699997E-02
 C   -5.318600       1.284200      0.3153000    
 C   -4.533600     -0.5117000      -1.180500    
 C   -5.957900      0.6441000       1.504600    
 C   -4.437300      5.0500002E-02  -2.561800    
 H   0.8920000      -1.383800       1.540900    
 H    1.778200      -2.399100      -1.226300    
 H    2.218000      -3.053400      0.3616000    
 H   -2.046400     -0.4674000      -1.343100    
 H   -1.676100      -1.225900       1.615100    
 H   -2.580400      -2.105800      0.4004000    
 H  -0.6439000       1.617100     -0.7246000    
 H   -1.400300      -4.060800      0.6452000    
 H  -0.3749000      -3.401300       1.935000    
 H   0.3335000      -4.150000      0.4847000    
 H    5.100600      -2.409800     -0.2800000    
 H    1.091100       2.931200      0.1548000    
 H    6.186900     -0.1561000     -0.1833000    
 H    5.389200       2.610700     -1.2900000E-02
 H    3.307200       3.978000      0.1284000    
 H   -4.942600       2.273100      0.6015000    
 H   -6.043300       1.435700     -0.4918000    
 H   -3.905400      -1.398300      -1.094200    
 H   -5.555100     -0.8641000     -0.9939000    
 H   -6.359600     -0.3454000       1.262900    
 H   -5.241200      0.5154000       2.323000    
 H   -6.783800       1.259600       1.875300    
 H   -5.150500      0.8689000      -2.708500    
 H   -3.443600      0.4497000      -2.785700    
 H   -4.664200     -0.7206000      -3.305200    


%chk=000003981-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003981

0 1
O -2.812947 1.720246 1.024383
N -0.467896 -2.128179 0.250974
N 5.316586 -0.340912 -0.225810
N -4.282970 0.446560 -0.246210
C 0.810844 -1.381207 0.425375
C 0.665129 0.111071 0.049218
C 1.962832 -2.089244 -0.375874
C -1.830193 -0.120648 -0.263411
C -1.656689 -1.346672 0.668775
C 3.229892 -1.276224 -0.274917
C 1.928237 0.891603 0.079427
C 3.118194 0.139852 -0.063448
C -0.537583 0.667204 -0.263995
C 4.418982 0.721554 -0.041829
C -0.445504 -3.453975 0.906735
C -3.004681 0.756007 0.213314
C 4.592675 -1.550953 -0.364529
C 2.082951 2.286717 0.254594
C 4.572186 2.117422 0.126056
C 3.383381 2.874583 0.270624
C -5.415092 1.278462 0.233844
C -4.605180 -0.631280 -1.209623
C -6.078237 0.696755 1.500297
C -4.623355 -0.149988 -2.678283
H 1.121039 -1.397782 1.506150
H 1.625855 -2.179981 -1.427623
H 2.114154 -3.113788 0.008400
H -2.019317 -0.502964 -1.286190
H -1.583345 -0.981285 1.723274
H -2.537986 -2.012986 0.607697
H -0.601335 1.732019 -0.515843
H -1.418423 -3.953505 0.752544
H -0.256011 -3.395786 2.008532
H 0.330195 -4.097628 0.460446
H 5.116297 -2.493026 -0.518635
H 1.207104 2.926055 0.409973
H 6.330354 -0.263597 -0.254392
H 5.552410 2.605831 0.149799
H 3.466558 3.958285 0.413554
H -5.017948 2.283546 0.454157
H -6.151548 1.365731 -0.587487
H -3.892083 -1.464262 -1.093979
H -5.599565 -1.035011 -0.938355
H -6.458597 -0.327296 1.326897
H -5.348725 0.664978 2.327274
H -6.929998 1.328343 1.813755
H -5.345143 0.674831 -2.817292
H -3.627368 0.214925 -2.985991
H -4.913036 -0.976701 -3.353054


