%chk=000088076.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088076

0 1
 O   -6.628500      0.1634000      0.2158000    
 N    4.864000     -0.1000000     -0.2038000    
 N  -0.6845000     -5.2900001E-02  0.5678000    
 N   -1.266800      8.3499998E-02 -0.5332000    
 N   -5.355300      0.1446000      3.7900001E-02
 C    3.465600     -7.8800000E-02 -8.2000000E-03
 C    2.795000       1.122900      0.2192000    
 C    1.372700      -1.275900      0.1468000    
 C    2.754500      -1.278200     -4.4300001E-02
 C   0.7022000     -7.4000001E-02  0.3742000    
 C    1.413300       1.125400      0.4105000    
 C    3.531900       2.422100      0.2629000    
 C   0.6327000      -2.572700      0.1036000    
 C    5.717500     -0.8515000      0.6933000    
 C    5.459200      0.6182000      -1.312200    
 C   -2.658600      0.1046000     -0.3395000    
 C   -3.306200       1.311800     -0.1153000    
 C   -3.377600      -1.082400     -0.3724000    
 C   -4.680800       1.301800      7.3600002E-02
 C   -4.750400      -1.031800     -0.1768000    
 H    3.275500      -2.214800     -0.2293000    
 H   0.8850000       2.059700      0.5869000    
 H    4.455500       2.341400      0.8453000    
 H    3.756700       2.773700     -0.7484000    
 H    2.932600       3.198200      0.7530000    
 H    1.314700      -3.429600      7.9200000E-02
 H   4.3000001E-03  -2.690400      0.9929000    
 H   4.1999999E-03  -2.622400     -0.7915000    
 H    5.422400     -0.6971000       1.737000    
 H    6.762800     -0.5373000      0.5992000    
 H    5.668100      -1.921900      0.4690000    
 H    5.942400       1.537100     -0.9657000    
 H    4.724100      0.8723000      -2.084100    
 H    6.225900      6.9999998E-04  -1.793400    
 H   -2.759100       2.248800     -8.7099999E-02
 H   -2.886800      -2.034600     -0.5467000    
 H   -5.265300       2.191700      0.2534000    
 H   -5.387500      -1.903500     -0.1860000    


%chk=000088076-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088076

0 1
O -6.949977 0.091412 0.047791
N 4.991816 0.011361 -0.024143
N -0.666121 -0.484745 0.050210
N -1.385278 0.623648 -0.052314
N -5.619809 0.196091 0.026816
C 3.581877 -0.059219 -0.015117
C 2.763888 1.134035 -0.018813
C 1.538588 -1.480979 0.091353
C 2.936172 -1.332642 0.068306
C 0.732413 -0.297019 0.030479
C 1.371480 0.979287 -0.007513
C 3.350541 2.534264 0.085357
C 0.907934 -2.858685 0.151371
C 5.782080 -1.129994 0.461353
C 5.717733 0.849233 -0.999065
C -2.781200 0.405956 -0.016687
C -3.614059 1.555560 -0.129602
C -3.430555 -0.861717 0.120337
C -5.002863 1.441468 -0.106925
C -4.817394 -0.947269 0.139546
H 3.548594 -2.239687 0.077098
H 0.724203 1.862753 0.012639
H 4.289564 2.533556 0.666639
H 3.567611 2.988320 -0.901383
H 2.634091 3.202962 0.592216
H 1.680817 -3.646564 0.168841
H 0.276266 -2.965864 1.051207
H 0.245909 -3.032783 -0.715035
H 5.332622 -1.548369 1.376681
H 6.799199 -0.776014 0.708778
H 5.882362 -1.944480 -0.291357
H 6.548082 1.396616 -0.513538
H 5.044623 1.575742 -1.470945
H 6.146624 0.217221 -1.807089
H -3.150901 2.540466 -0.236183
H -2.822758 -1.765736 0.210269
H -5.696355 2.279068 -0.188551
H -5.382419 -1.875154 0.240572


