%chk=000127597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127597

0 1
 O   -2.767700      -2.328300      -1.099200    
 O    4.021900      0.5038000     -0.1245000    
 O    3.054500      -1.347800      0.8423000    
 N  -0.4343000      0.9470000     -0.1089000    
 N  -0.8107000      -2.033500      0.1029000    
 N    1.640100       1.677000     -0.5335000    
 C   0.4326000     -3.0200001E-02  0.3320000    
 C  -2.4499999E-02  -1.245100       1.035100    
 C   -1.847600      0.9223000     -1.1100000E-02
 C   -2.587800     -0.2784000     -1.1300000E-02
 C    1.693700      0.4358000      3.4699999E-02
 C   -2.059000      -1.629400     -0.3716000    
 C   0.3593000       1.968600     -0.5838000    
 C   -2.520300       2.151000      0.1149000    
 C  -0.2505000      -3.316100     -0.3044000    
 C   -3.983400     -0.2146000      0.1602000    
 C   -3.904500       2.190100      0.2828000    
 C    2.935200     -0.2287000      0.2964000    
 C   -4.634200       1.008600      0.3163000    
 C    5.323100     -5.6899998E-02  8.1200004E-02
 C    6.364200      0.9049000     -0.4504000    
 H   0.7902000      -1.852200       1.435500    
 H  -0.6618000     -0.9740000       1.885700    
 H  -4.1800000E-02   2.889400     -0.9855000    
 H   -1.987500       3.098300      0.1280000    
 H  -0.1523000      -3.952200      0.5801000    
 H   0.7354000      -3.145800     -0.7469000    
 H  -0.8856000      -3.821000      -1.036500    
 H   -4.588200      -1.119300      0.1591000    
 H   -4.410200       3.144600      0.3965000    
 H   -5.711800       1.037700      0.4473000    
 H    5.481200     -0.2226000       1.152400    
 H    5.393700      -1.012900     -0.4488000    
 H    7.372800      0.5069000     -0.3090000    
 H    6.204900       1.094200      -1.517000    
 H    6.290900       1.871800      5.8400001E-02


%chk=000127597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127597

0 1
O -2.766446 -2.427527 -1.135426
O 4.092292 0.547349 -0.147085
O 3.058384 -1.272810 0.881514
N -0.468228 0.993074 -0.141348
N -0.833769 -2.036805 0.103552
N 1.598312 1.750127 -0.711819
C 0.441639 0.045323 0.341509
C -0.059549 -1.182029 1.037627
C -1.892327 0.942773 0.033300
C -2.618474 -0.284227 -0.038788
C 1.712861 0.526665 -0.016053
C -2.067037 -1.653790 -0.403175
C 0.286160 2.003081 -0.770027
C -2.570245 2.166938 0.262717
C -0.241252 -3.326817 -0.298542
C -4.030462 -0.228695 0.108551
C -3.968991 2.190744 0.414978
C 2.981928 -0.157416 0.287508
C -4.704634 0.984631 0.340561
C 5.415823 -0.094657 0.125890
C 6.475631 0.847280 -0.434558
H 0.807655 -1.751916 1.402679
H -0.691500 -0.908347 1.905582
H -0.172576 2.849527 -1.274188
H -1.992048 3.093076 0.343199
H -0.154026 -4.004182 0.571205
H 0.764657 -3.167148 -0.726852
H -0.900506 -3.787827 -1.049207
H -4.582464 -1.167398 0.002798
H -4.479332 3.142134 0.597326
H -5.793116 0.993122 0.455381
H 5.511414 -0.244298 1.216751
H 5.427949 -1.087421 -0.359645
H 7.482138 0.424005 -0.262290
H 6.337693 0.992134 -1.519379
H 6.422445 1.834327 0.055156


