%chk=000114981.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114981

0 1
 O   -4.897100     -0.7548000      1.8400000E-02
 N   -3.587200      -1.151300     -6.2000002E-03
 C  -0.1480000      0.3238000     -1.5000000E-03
 C    1.208600     -8.5500002E-02   0.000000    
 C   -1.178600     -0.6450000     -3.1999999E-03
 C  -0.4710000       1.700700     -1.2000001E-03
 C    1.531600      -1.462500     -3.0000001E-04
 C    2.239100      0.8833000      1.7000000E-03
 C   -2.516500     -0.2240000     -4.6000001E-03
 C  -0.8395000      -2.004800     -3.5000001E-03
 C   0.4973000      -2.408000     -2.0000001E-03
 C   0.5633000       2.646200      5.0000002E-04
 C    1.900100       2.243000      2.0000001E-03
 C   -1.818600       2.089700     -2.6000000E-03
 C    2.879100      -1.851400      1.1000000E-03
 C    3.576900      0.4622000      3.0000000E-03
 C   -2.832700       1.133500     -4.3000001E-03
 C    3.893200     -0.8953000      2.7999999E-03
 H   -1.583600      -2.795200     -4.8000002E-03
 H   0.7224000      -3.472700     -2.3000001E-03
 H   0.3390000       3.711000      7.9999998E-04
 H    2.675800       3.006200      3.3000000E-03
 H   -2.090400       3.143300     -2.4999999E-03
 H    3.151400      -2.904700      1.0000000E-03
 H    4.386300       1.189300      4.3000001E-03
 H   -3.862500       1.481000     -6.0000001E-03
 H    4.933300      -1.208900      3.8999999E-03
 H   -3.429200      -2.148300     -8.1000002E-03
 H   -5.216700      -1.064700     -0.8460000    


%chk=000114981-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114981

0 1
O -4.938235 -0.721181 0.161577
N -3.594262 -1.243391 -0.133657
C -0.155469 0.306054 -0.042357
C 1.225880 -0.097148 -0.011455
C -1.197400 -0.690602 -0.076063
C -0.487532 1.711261 -0.043242
C 1.574730 -1.497750 -0.020359
C 2.271999 0.898872 0.027870
C -2.565532 -0.255882 -0.077651
C -0.819181 -2.086921 -0.112739
C 0.510487 -2.472798 -0.081022
C 0.578145 2.686666 -0.007409
C 1.905807 2.299142 0.028887
C -1.856156 2.087730 -0.075872
C 2.945135 -1.876772 0.015211
C 3.628664 0.475648 0.063782
C -2.880342 1.124352 -0.089245
C 3.958561 -0.896863 0.058461
H -1.591535 -2.859189 -0.201011
H 0.777045 -3.535774 -0.114944
H 0.310155 3.749914 -0.007704
H 2.705188 3.048637 0.058458
H -2.118112 3.152301 -0.074577
H 3.206881 -2.941324 0.007529
H 4.422357 1.231298 0.095352
H -3.930558 1.424312 -0.075338
H 5.010132 -1.202996 0.086502
H -3.453079 -2.052095 0.487057
H -5.417972 -0.829401 -0.702342


