%chk=000096891.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096891

0 1
 O  -9.3999999E-03   2.797400      -1.245700    
 O   1.6300000E-02   3.013900       1.016800    
 N   1.7000001E-02  -1.940800      1.0500000E-02
 C   -3.704200      5.0700001E-02  0.3655000    
 C   -2.493600      0.9104000      3.8999999E-03
 C   -3.650900      -1.283900     -0.3685000    
 C   -1.196800      0.1496000      3.7400000E-02
 C   -2.407200      -2.066600      4.6599999E-02
 C   -1.147300      -1.242100      1.2000000E-02
 C   1.8400000E-02  0.8343000      3.0099999E-02
 C    1.231800      0.1355000      2.1400001E-02
 C    1.183700      -1.270800      1.2700000E-02
 C    2.468000      0.8039000      1.9700000E-02
 C   8.5000005E-03   2.299000      1.6600000E-02
 C    2.388700      -1.968100      5.1000002E-03
 C    3.658600      8.2999997E-02  1.1300000E-02
 C    3.618300      -1.305500      4.4999998E-03
 H   -3.723800     -0.1283000       1.448200    
 H   -4.625900      0.5864000      0.1123000    
 H   -2.468600       1.756000      0.7008000    
 H   -2.631200       1.312000      -1.008000    
 H   -3.638500      -1.107600      -1.451600    
 H   -4.547900      -1.873000     -0.1478000    
 H   -2.294200      -2.939200     -0.6071000    
 H   -2.536400      -2.439100       1.070400    
 H    2.535100       1.888900      2.6100000E-02
 H    2.383500      -3.056600     -1.3000000E-03
 H    4.612000      0.6023000      1.0600000E-02
 H    4.541900      -1.877000     -1.8000000E-03
 H  -1.5600000E-02   3.778300      -1.251600    


%chk=000096891-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096891

0 1
O -0.765410 2.963709 -1.008852
O 0.833857 3.136959 0.650196
N 0.014270 -1.939517 0.008981
C -3.722364 0.037693 0.352264
C -2.534785 0.924894 -0.079749
C -3.677398 -1.314835 -0.386518
C -1.183723 0.211814 -0.041627
C -2.404747 -2.080953 0.021989
C -1.136900 -1.236844 -0.011952
C 0.046144 0.906219 -0.029151
C 1.299434 0.184205 0.029602
C 1.220520 -1.261971 0.028260
C 2.597860 0.794602 0.058113
C 0.097350 2.403776 -0.052123
C 2.419535 -2.044138 0.047095
C 3.751579 0.006541 0.075782
C 3.667806 -1.421745 0.069692
H -3.689873 -0.140856 1.446007
H -4.667000 0.573082 0.140712
H -2.498266 1.837786 0.542265
H -2.705953 1.282486 -1.113690
H -3.683303 -1.137406 -1.480661
H -4.571058 -1.922825 -0.152940
H -2.236581 -2.970039 -0.611230
H -2.522990 -2.464214 1.056611
H 2.683487 1.883520 0.088152
H 2.308572 -3.132616 0.043307
H 4.734925 0.488984 0.099946
H 4.584819 -2.020738 0.084261
H -0.669508 3.955427 -0.975642


