%chk=000100691.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100691

0 1
 O    6.394900      0.3532000      6.0000001E-03
 O    5.139600      -1.550800      0.1783000    
 N  -0.3628000       2.165400     -0.3460000    
 N   -1.273700     -0.4849000     -2.0800000E-02
 N    2.375500     -0.9834000      5.3399999E-02
 N    4.157700      0.5636000     -6.8200000E-02
 N   0.5813000      -2.523800      0.1865000    
 C   -2.137400      0.4528000     -0.2757000    
 C   -1.732300       1.857700     -0.6985000    
 C   -3.595000      0.1323000     -0.1944000    
 C   0.5492000       1.132300     -0.2254000    
 C   9.2699997E-02 -0.1798000     -8.1100002E-02
 C   -4.307500      0.3259000      0.9870000    
 C   -4.235100     -0.3667000      -1.326700    
 C    1.923000       1.376000     -0.2052000    
 C   -5.667300      1.8700000E-02   1.036200    
 C    1.040000      -1.188600      5.1100001E-02
 C   -6.310900     -0.4811000     -9.5899999E-02
 C   -5.594700     -0.6737000      -1.277300    
 C    2.783200      0.2973000     -7.1300000E-02
 C   -3.642800      0.8599000       2.213700    
 C   -7.764600     -0.8099000     -4.3699998E-02
 C    5.211500     -0.3346000      5.1100001E-02
 C    7.585200     -0.4356000      0.1177000    
 C    8.790400      0.4780000      4.9400002E-02
 H   -1.848500       1.923400      -1.786500    
 H   -2.403700       2.592000     -0.2427000    
 H  -2.2700001E-02   3.110500     -0.4777000    
 H   -3.686500     -0.5198000      -2.252300    
 H    2.301200       2.390100     -0.3009000    
 H   -6.230900      0.1691000       1.954000    
 H   -6.085000      -1.060600      -2.166800    
 H   -4.330300      0.8970000       3.065900    
 H   -2.802900      0.2213000       2.506400    
 H   -3.281000       1.878700       2.042200    
 H   -8.050200      -1.174700      0.9488000    
 H   -8.359300      7.8900002E-02 -0.2766000    
 H   -8.019400      -1.598600     -0.7599000    
 H    4.423800       1.540600     -0.1652000    
 H  -0.3306000      -2.677300      0.5991000    
 H    1.285000      -3.244300      0.2896000    
 H    7.580000     -0.9704000       1.074000    
 H    7.621900      -1.158900     -0.7045000    
 H    9.719400     -9.3199998E-02  0.1318000    
 H    8.799500       1.033900     -0.8940000    
 H    8.758200       1.219200      0.8547000    


%chk=000100691-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100691

0 1
O 6.492953 0.283010 0.051531
O 5.306964 -1.704578 -0.402959
N -0.337032 2.084441 0.294169
N -1.254993 -0.531684 -0.149265
N 2.422770 -1.070767 -0.334355
N 4.251623 0.404516 0.038372
N 0.628721 -2.544371 -0.644235
C -2.144143 0.443335 -0.064019
C -1.700533 1.906840 -0.242669
C -3.590779 0.103877 0.003966
C 0.613028 1.094008 0.075469
C 0.114261 -0.216014 -0.213846
C -4.522616 0.746908 0.880254
C -4.062091 -0.933998 -0.849397
C 2.008998 1.300669 0.178712
C -5.881984 0.348101 0.834911
C 1.069952 -1.267643 -0.398448
C -6.360027 -0.658473 -0.039214
C -5.417347 -1.308317 -0.876620
C 2.856568 0.180051 -0.046061
C -4.106834 1.784706 1.914989
C -7.832967 -1.024532 -0.081518
C 5.309245 -0.487483 -0.137244
C 7.761673 -0.479937 -0.085441
C 8.898408 0.519107 0.112007
H -1.744097 2.138517 -1.335298
H -2.385701 2.604048 0.261237
H -0.027245 3.023854 0.540782
H -3.334358 -1.437043 -1.494302
H 2.421456 2.289632 0.407320
H -6.589634 0.830156 1.522785
H -5.749276 -2.106395 -1.551640
H -4.788444 1.754000 2.782946
H -3.082202 1.609655 2.287252
H -4.150781 2.816517 1.512357
H -8.311588 -0.900350 0.906162
H -8.383058 -0.380181 -0.795192
H -7.980625 -2.070193 -0.404126
H 4.549074 1.357689 0.255337
H -0.374233 -2.721739 -0.618978
H 1.313147 -3.291858 -0.727010
H 7.773593 -1.284797 0.672358
H 7.785366 -0.951274 -1.084997
H 9.871208 0.002011 0.022296
H 8.857606 1.317031 -0.649300
H 8.844071 0.986049 1.110523


