%chk=000097981.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097981

0 1
 O    2.110400     -0.2493000      0.3443000    
 O    1.417100       1.280700      -1.241600    
 N   -2.225900     -0.9912000      0.1937000    
 C  -0.1500000      0.3499000      0.3305000    
 C  -0.9565000       1.642600      0.2223000    
 C  -0.8739000     -0.8141000     -0.3552000    
 C   -2.381900       1.421700      0.7161000    
 C   -3.032500      0.2249000      2.1000000E-02
 C    1.197500      0.5343000     -0.2972000    
 C   -2.886800      -2.136600     -0.4315000    
 C    3.448500     -0.1708000     -0.1571000    
 C    4.334000      -1.092100      0.6546000    
 H  -1.1600000E-02  0.1275000       1.397600    
 H  -0.9937000       1.991300     -0.8181000    
 H  -0.4786000       2.441400      0.8021000    
 H  -0.9121000     -0.6506000      -1.441500    
 H  -0.2911000      -1.731000     -0.1968000    
 H   -2.371400       1.256000       1.801000    
 H   -2.979000       2.323100      0.5371000    
 H   -4.027100      7.5800002E-02  0.4587000    
 H   -3.175500      0.4510000      -1.044000    
 H   -2.311600      -3.053400     -0.2602000    
 H   -3.011200      -2.004000      -1.512300    
 H   -3.875300      -2.299900      1.2100000E-02
 H    3.462500     -0.4761000      -1.209300    
 H    3.810200      0.8600000     -7.2400004E-02
 H    5.366900      -1.056900      0.2972000    
 H    4.316000     -0.8105000       1.712700    
 H    3.973900      -2.124400      0.5944000    


%chk=000097981-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097981

0 1
O 2.152314 -0.241455 0.364535
O 1.529901 1.351458 -1.218830
N -2.237748 -0.972754 0.157966
C -0.166778 0.403080 0.326778
C -1.010522 1.695039 0.214993
C -0.885060 -0.768096 -0.407147
C -2.444428 1.439823 0.728742
C -3.083797 0.237591 0.006877
C 1.220274 0.589414 -0.270534
C -2.884343 -2.183765 -0.386986
C 3.548634 -0.189115 -0.166660
C 4.375693 -1.159185 0.671316
H -0.055289 0.102213 1.384326
H -1.030356 2.014585 -0.844731
H -0.532861 2.512130 0.787308
H -0.924542 -0.533278 -1.505023
H -0.305195 -1.700181 -0.277236
H -2.421739 1.229586 1.815364
H -3.070940 2.338930 0.572061
H -4.079291 0.017515 0.436295
H -3.235023 0.493549 -1.077247
H -2.251124 -3.066581 -0.185598
H -3.064918 -2.131674 -1.491755
H -3.858607 -2.338435 0.110878
H 3.525612 -0.463009 -1.237726
H 3.909974 0.853120 -0.092042
H 5.423906 -1.158740 0.318796
H 4.366214 -0.866036 1.734999
H 3.981340 -2.186428 0.588478


