%chk=000096852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096852

0 1
 O    1.534800      0.5312000       1.071300    
 O    3.239600      -1.969500      0.3637000    
 O    3.616900     -0.2493000      -1.745900    
 O    2.348900       3.203500      0.7035000    
 O  -0.5123000      -3.297000      0.3066000    
 N  -0.2209000     -0.9411000      0.4762000    
 N   -2.253700      -1.754400     -0.1254000    
 N  -0.8311000       1.455500      0.3951000    
 N   -3.154300       1.830600     -0.2439000    
 N   -4.602600     -9.6000005E-03 -0.7194000    
 C    1.165900     -0.8480000      0.8692000    
 C    2.076200      -1.392700     -0.2261000    
 C    2.418700     -0.1401000      -1.008100    
 C    2.517100      0.9043000      9.0400003E-02
 C    2.242300       2.316400     -0.3960000    
 C   -1.089100      0.1491000      0.2735000    
 C  -0.9329000      -2.151300      0.2305000    
 C   -2.316900     -0.3662000     -9.0899996E-02
 C   -3.341100      0.4972000     -0.3462000    
 C   -1.905500       2.231400      0.1221000    
 H    1.289000      -1.390400       1.813000    
 H    1.626100      -2.164800     -0.8567000    
 H    1.599200      0.1041000      -1.695300    
 H    3.496200      0.8746000      0.5853000    
 H    1.240000       2.416100     -0.8195000    
 H    2.974500       2.612400      -1.154100    
 H    3.851600      -2.189700     -0.3592000    
 H    3.510300     -0.9900000      -2.366900    
 H   -3.021900      -2.368800     -0.3648000    
 H    2.176300       4.099300      0.3670000    
 H   -1.755500       3.301800      0.2034000    
 H   -4.863500     -0.9362000     -0.4061000    
 H   -5.339200      0.6623000     -0.8951000    


%chk=000096852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096852

0 1
O 1.596223 0.158317 1.172619
O 2.999784 -2.066032 -0.752229
O 3.717439 0.291683 -1.776234
O 3.090851 2.728275 1.770018
O -0.700007 -2.815627 2.055938
N -0.307308 -1.083032 0.423916
N -2.440446 -1.554468 0.995122
N -0.762111 0.732437 -1.199224
N -3.145812 1.209883 -1.487716
N -4.854828 0.075406 -0.343693
C 1.155544 -1.080127 0.496253
C 1.880367 -1.138429 -0.872838
C 2.416467 0.310211 -1.083768
C 2.637108 0.827878 0.353574
C 2.495038 2.337137 0.486168
C -1.136712 -0.218491 -0.301257
C -1.100862 -1.931127 1.265375
C -2.481956 -0.514022 0.049624
C -3.504623 0.238067 -0.575566
C -1.826536 1.400991 -1.746858
H 1.433104 -1.958686 1.105108
H 1.201781 -1.464484 -1.683176
H 1.661694 0.912106 -1.618451
H 3.641054 0.520012 0.707788
H 1.419155 2.602308 0.427333
H 3.043151 2.815394 -0.355249
H 3.787837 -1.608933 -1.164149
H 3.582435 0.409071 -2.749148
H -3.215339 -2.010769 1.470188
H 2.806827 3.647311 2.000858
H -1.587018 2.178857 -2.477590
H -5.226729 -0.602352 0.314460
H -5.492472 0.681933 -0.855996


