%chk=000096866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096866

0 1
 O    3.837300       1.421300     -0.4914000    
 O   -7.089500      8.8000000E-03  0.2759000    
 O   -6.305300       2.050200      8.4600002E-02
 N    3.346300     -0.8708000     -0.3021000    
 N   -6.131100      0.8101000      0.1605000    
 N    5.534700     -0.1479000     -0.4861000    
 C   -1.137700       1.372800     -0.1855000    
 C  -0.1443000      0.2298000     -0.1662000    
 C   -2.455600      0.6386000     -5.3399999E-02
 C  -0.8157000      -1.007000     -3.8199998E-02
 C   -2.239100     -0.7553000      3.1199999E-02
 C    1.235000      0.2980000     -0.2553000    
 C  -0.1028000      -2.193600      1.6000000E-03
 C   -3.730200       1.176000     -1.2800000E-02
 C   -3.307800      -1.626800      0.1580000    
 C    1.953300     -0.8983000     -0.2151000    
 C    1.291200      -2.131600     -8.7800004E-02
 C   -4.807300      0.2972000      0.1148000    
 C   -4.598300      -1.090200      0.1994000    
 C    4.194200      0.2471000     -0.4317000    
 C    6.627700      0.7877000     -0.6181000    
 C    7.152600       1.261200      0.7320000    
 C    7.692200      0.1225000       1.585700    
 H  -0.9782000       2.039200      0.6671000    
 H   -1.088600       1.912800      -1.135500    
 H    1.670800       1.280700     -0.3511000    
 H  -0.5998000      -3.152900      9.9399999E-02
 H   -3.855300       2.251900     -8.0499999E-02
 H   -3.161800      -2.699700      0.2245000    
 H    1.859900      -3.058600     -5.7399999E-02
 H   -5.428500      -1.786000      0.2992000    
 H    3.807100      -1.776700     -0.2667000    
 H    6.292000       1.648700      -1.206200    
 H    7.419700      0.2834000      -1.181800    
 H    7.952100       1.992500      0.5666000    
 H    6.356000       1.773200       1.284800    
 H    5.754300      -1.137300     -0.4243000    
 H    8.486400     -0.4184000       1.061300    
 H    8.109700      0.5169000       2.517700    
 H    6.904400     -0.5901000       1.848600    


%chk=000096866-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096866

0 1
O 3.873130 1.420695 -0.517817
O -7.277298 -0.072606 0.226703
O -6.482772 2.053234 -0.018655
N 3.361604 -0.876723 -0.263280
N -6.306677 0.774784 0.095421
N 5.588485 -0.163993 -0.432603
C -1.228638 1.400699 -0.230505
C -0.205413 0.272588 -0.176495
C -2.554912 0.665132 -0.088452
C -0.873572 -0.981524 -0.019396
C -2.319262 -0.744522 0.035334
C 1.190433 0.360151 -0.262795
C -0.118330 -2.174913 0.053797
C -3.855646 1.178480 -0.070075
C -3.404357 -1.643403 0.178945
C 1.947325 -0.844982 -0.188268
C 1.282680 -2.100255 -0.030499
C -4.925684 0.258163 0.074264
C -4.717534 -1.137834 0.198309
C 4.247868 0.214727 -0.409059
C 6.659636 0.840695 -0.554993
C 7.310251 1.223053 0.796233
C 8.018905 0.044115 1.497402
H -1.074592 2.137026 0.582016
H -1.168962 1.966397 -1.180489
H 1.713150 1.310332 -0.386017
H -0.605692 -3.148351 0.174426
H -4.075949 2.245410 -0.161692
H -3.233400 -2.720708 0.273678
H 1.878338 -3.020692 0.025924
H -5.586526 -1.791938 0.306270
H 3.774218 -1.810708 -0.213394
H 6.201829 1.733000 -1.014829
H 7.429420 0.450299 -1.249110
H 8.040551 2.033541 0.602573
H 6.530596 1.647204 1.456594
H 5.857594 -1.138157 -0.291120
H 8.806391 -0.391074 0.852310
H 8.499038 0.371168 2.436900
H 7.303775 -0.759109 1.758148


