%chk=000085530.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085530

0 1
 O    6.398700      0.3864000     -2.4999999E-03
 N    1.005000     -0.9677000     -2.0999999E-03
 C   -3.966000     -0.3734000      6.1700001E-02
 C   -2.591600      0.3015000      2.7999999E-03
 C   -5.176400      0.5624000     -1.0700000E-02
 C   -1.425100     -0.6918000     -5.9000002E-03
 C   -6.517400     -0.1740000     -1.1700000E-02
 C  -6.4300001E-02  1.3000000E-03  1.9999999E-04
 C   -7.688800      0.8091000      7.6000001E-03
 C   -9.024800      8.4100001E-02 -2.6500000E-02
 C    2.349500     -0.6305000     -1.9000000E-03
 C    2.755100      0.7169000      6.9999998E-04
 C    3.343700      -1.626300     -4.8000002E-03
 C    4.108000       1.056600      3.0000001E-04
 C    4.696600      -1.286500     -5.1000002E-03
 C    5.078700      5.5000000E-02 -2.4999999E-03
 C    6.719100       1.776800      5.0000002E-04
 H   -4.029600     -0.9617000      0.9860000    
 H   -4.034800      -1.091600     -0.7654000    
 H   -2.491300      0.9752000      0.8625000    
 H   -2.537200      0.9262000     -0.8972000    
 H   -5.138200       1.252200      0.8415000    
 H   -5.101200       1.175700     -0.9172000    
 H   -1.502100      -1.349300      0.8695000    
 H   -1.504500      -1.338900     -0.8886000    
 H   -6.582000     -0.8136000     -0.9001000    
 H   -6.576200     -0.8306000      0.8647000    
 H   7.7000000E-03  0.6443000     -0.8854000    
 H   5.2999998E-03  0.6358000      0.8920000    
 H   -7.624000       1.482300     -0.8552000    
 H   -7.638900       1.430700      0.9091000    
 H   0.7694000      -1.954100     -2.7000001E-03
 H   -9.847900      0.8053000     -1.1100000E-02
 H   -9.119900     -0.5207000     -0.9339000    
 H   -9.135000     -0.5759000      0.8399000    
 H    2.032600       1.528700      3.1000001E-03
 H    3.063300      -2.677300     -7.0000002E-03
 H    4.335200       2.117200      2.4000001E-03
 H    5.448300      -2.071100     -7.3000002E-03
 H    7.811100       1.856800      9.9999997E-05
 H    6.362900       2.270000      0.9113000    
 H    6.361900       2.274000     -0.9078000    


%chk=000085530-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085530

0 1
O 6.535266 0.329116 0.001544
N 1.009623 -0.930094 0.004634
C -4.016721 -0.434416 0.001805
C -2.648813 0.284209 -0.002197
C -5.217174 0.538588 -0.004404
C -1.453231 -0.693028 0.002847
C -6.585849 -0.178809 -0.001609
C -0.092634 0.031158 0.003087
C -7.786932 0.794116 -0.003758
C -9.150497 0.069838 -0.004228
C 2.361411 -0.570145 0.003998
C 2.780885 0.789009 0.000535
C 3.371343 -1.582302 0.006678
C 4.155374 1.127474 -0.000436
C 4.733577 -1.247339 0.005833
C 5.137731 0.111808 0.002202
C 6.985666 1.718063 -0.002436
H -4.083186 -1.091722 0.893982
H -4.082701 -1.102500 -0.882364
H -2.583847 0.950860 0.882677
H -2.583937 0.941176 -0.894254
H -5.152475 1.206722 0.880006
H -5.151114 1.196955 -0.896001
H -1.517649 -1.348339 0.896211
H -1.514418 -1.353610 -0.886836
H -6.653794 -0.844621 -0.887589
H -6.652834 -0.839564 0.888222
H -0.029596 0.692685 -0.890015
H -0.031040 0.694649 0.894913
H -7.718115 1.455638 -0.891618
H -7.719712 1.457507 0.882815
H 0.775919 -1.921678 0.009611
H -9.991281 0.787770 -0.004539
H -9.256533 -0.575058 -0.897069
H -9.257172 -0.574989 0.888600
H 2.039305 1.593723 -0.001371
H 3.076448 -2.639641 0.009393
H 4.436946 2.185371 -0.003178
H 5.504987 -2.023930 0.007894
H 8.085007 1.668104 -0.002415
H 6.638435 2.260944 0.899877
H 6.638229 2.255801 -0.907745


