%chk=000085989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085989

0 1
 N   -3.330300     -0.6579000     -0.1827000    
 N    2.197900      -1.440100      0.3650000    
 C   -5.364500      0.6090000     -0.6720000    
 C   -3.916800      0.3076000      -1.088100    
 C   -5.525600       1.228100      0.7326000    
 C   -3.867600     -0.2550000      -2.506500    
 C   -4.723300       2.529800      0.8173000    
 C   -5.082100      0.2774000       1.845200    
 C   -1.967000     -0.8520000     -4.9100000E-02
 C   -1.456400      -1.806900      0.8516000    
 C   -1.050500     -9.9500000E-02 -0.8089000    
 C   0.8083000      -1.245600      0.2251000    
 C  -8.1900001E-02  -2.001700      0.9874000    
 C   0.3241000     -0.2945000     -0.6731000    
 C    3.301800     -0.5782000      0.2150000    
 C    4.534500      -1.085900     -0.1987000    
 C    3.165200      0.7856000      0.4795000    
 C    5.489600       1.130100     -8.2699999E-02
 C    5.627600     -0.2323000     -0.3473000    
 C    4.258400       1.639200      0.3308000    
 C    6.658600       2.042600     -0.2406000    
 H   -5.961600     -0.3120000     -0.7165000    
 H   -5.808500       1.295000      -1.405800    
 H   -3.365500       1.253300      -1.075100    
 H   -6.589000       1.457400      0.8744000    
 H   -3.930300      -1.379500      0.2026000    
 H   -4.428700      -1.194400      -2.575900    
 H   -4.314100      0.4517000      -3.214700    
 H   -2.851200     -0.4630000      -2.851500    
 H   -4.965400       3.197500     -1.6200000E-02
 H   -4.968600       3.059600       1.744700    
 H   -3.642200       2.359000      0.8233000    
 H   -5.469800     -0.7347000       1.691800    
 H   -3.998800      0.2452000       1.985600    
 H   -5.491800      0.6298000       2.799900    
 H   -2.136700      -2.404100       1.455000    
 H   -1.364800      0.6595000      -1.518300    
 H   0.2834000      -2.744500       1.691900    
 H   0.9939000      0.2946000      -1.293600    
 H    2.452700      -2.389100      0.6244000    
 H    4.654400      -2.145600     -0.4094000    
 H    2.224600       1.206600      0.8242000    
 H    6.581100     -0.6405000     -0.6718000    
 H    4.139400       2.698400      0.5430000    
 H    7.599100       1.518900     -3.7999999E-02
 H    6.690500       2.439100      -1.260200    
 H    6.602300       2.881900      0.4609000    


%chk=000085989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085989

0 1
N -3.315562 -0.742393 -0.191653
N 2.320467 -1.536165 0.166880
C -5.466350 0.454746 -0.529177
C -4.020932 0.228706 -1.044698
C -5.659033 1.260462 0.791165
C -4.043388 -0.223000 -2.531905
C -4.987254 2.654192 0.727947
C -5.216235 0.498499 2.064734
C -1.927135 -0.912620 -0.138249
C -1.371450 -1.960741 0.655456
C -1.016759 -0.061909 -0.833444
C 0.924196 -1.278273 0.076903
C 0.018952 -2.129099 0.769776
C 0.376492 -0.248515 -0.732544
C 3.392291 -0.623626 0.095527
C 4.707791 -1.129086 -0.117610
C 3.235954 0.780648 0.273986
C 5.670999 1.139473 0.008191
C 5.817813 -0.262989 -0.151339
C 4.358915 1.632112 0.226920
C 6.865555 2.074968 -0.073393
H -5.962359 -0.535855 -0.428094
H -6.013161 0.986158 -1.333798
H -3.476482 1.192770 -0.985444
H -6.755097 1.426309 0.876010
H -3.890006 -1.435688 0.287801
H -4.689888 -1.112031 -2.655439
H -4.433265 0.581206 -3.183842
H -3.029579 -0.489968 -2.878381
H -5.282485 3.206071 -0.184681
H -5.276288 3.265857 1.602641
H -3.884627 2.569153 0.736093
H -5.700672 -0.495428 2.128444
H -4.122282 0.350781 2.080680
H -5.498772 1.065546 2.971716
H -2.042323 -2.636381 1.201802
H -1.391073 0.742813 -1.474008
H 0.413156 -2.927782 1.410781
H 1.042297 0.394788 -1.316131
H 2.581946 -2.512793 0.307872
H 4.854391 -2.208366 -0.256829
H 2.247391 1.197948 0.485473
H 6.817980 -0.684949 -0.312309
H 4.209888 2.709237 0.376998
H 7.792672 1.578464 0.265444
H 7.040667 2.421333 -1.111450
H 6.717047 2.975318 0.549679


