%chk=000156991.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156991

0 1
 O  -0.1971000       1.898300     -0.3362000    
 O   0.8152000      -2.305300     -0.2409000    
 O  -0.9022000       3.531600       1.137700    
 O    2.626000      -2.506600       1.179400    
 N   -3.061700     -0.8938000     -0.9661000    
 C   -1.948200      -1.464400     -0.1801000    
 C   -3.548800      0.1946000     -9.9799998E-02
 C  -0.7567000     -0.4827000     -0.3524000    
 C   -2.493000      -1.512500       1.254500    
 C   -1.107900      0.9285000      0.1728000    
 C   -3.548900     -0.4066000       1.308400    
 C   -2.531200       1.342900     -0.2342000    
 C   0.5194000      -1.022900      0.3015000    
 C   -4.097100      -1.875000      -1.280100    
 C    1.692300     -0.1011000      8.6000003E-02
 C  -0.4123000       3.184500      7.1599998E-02
 C    2.497100     -0.2714000      -1.030900    
 C    1.948900      0.9027000       1.008000    
 C    1.901800      -2.939300      0.2933000    
 C   4.5299999E-02   4.136800     -0.9912000    
 C    3.582800      0.5814000      -1.230200    
 C    3.034500       1.755700      0.8088000    
 C    3.851500       1.594800     -0.3103000    
 C    2.090400      -4.270200     -0.3697000    
 H   -1.669100      -2.460600     -0.5411000    
 H   -4.539700      0.5600000     -0.3921000    
 H  -0.5572000     -0.4035000      -1.433300    
 H   -1.729000      -1.373000       2.023600    
 H   -2.971500      -2.480100       1.448700    
 H   -1.039400      0.9280000       1.269000    
 H   -4.526000     -0.8452000       1.542800    
 H   -3.325600      0.3331000       2.084200    
 H   -2.530500       1.708400      -1.270800    
 H   -2.876400       2.184900      0.3773000    
 H   0.3601000      -1.151500       1.380000    
 H   -3.684000      -2.665900      -1.915800    
 H   -4.901200      -1.400500      -1.853500    
 H   -4.544000      -2.347600     -0.3996000    
 H    2.297000      -1.033900      -1.778000    
 H    1.333700       1.028500       1.894400    
 H  -0.5272000       3.971300      -1.907300    
 H    1.114100       4.001100      -1.174900    
 H  -0.1229000       5.163900     -0.6551000    
 H    4.215300      0.4604000      -2.104800    
 H    3.245300       2.543000       1.526600    
 H    4.696000       2.259600     -0.4660000    
 H    2.268100      -4.128900      -1.438700    
 H    1.208600      -4.894200     -0.2045000    
 H    2.959400      -4.772200      6.5099999E-02


%chk=000156991-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000156991

0 1
O -0.619720 2.112837 -0.547492
O 0.824957 -2.107135 -0.173028
O -0.374348 3.072626 1.571495
O 1.737787 -2.485489 1.946178
N -3.119665 -1.119698 -1.078053
C -1.925006 -1.474830 -0.250530
C -3.749785 -0.043406 -0.247560
C -0.855707 -0.356245 -0.474676
C -2.458812 -1.541329 1.228803
C -1.438818 0.994232 0.016993
C -3.686019 -0.568879 1.233551
C -2.892661 1.228066 -0.445025
C 0.483852 -0.683357 0.228129
C -4.013327 -2.266940 -1.360678
C 1.679726 0.183672 -0.136137
C -0.146938 3.088658 0.339530
C 2.093447 0.328871 -1.485260
C 2.429615 0.813879 0.886054
C 1.501832 -2.878235 0.781429
C 0.669954 4.117010 -0.408495
C 3.235175 1.093840 -1.804235
C 3.569923 1.586695 0.568739
C 3.977315 1.727613 -0.777578
C 1.908050 -4.211178 0.190169
H -1.500593 -2.432312 -0.589000
H -4.782405 0.145582 -0.588581
H -0.701542 -0.290286 -1.567723
H -1.693849 -1.257700 1.973002
H -2.770044 -2.572638 1.471734
H -1.371491 1.064793 1.119818
H -4.615591 -1.100938 1.501800
H -3.563049 0.260100 1.953173
H -2.888841 1.483349 -1.519595
H -3.318995 2.081490 0.114907
H 0.354933 -0.682719 1.326838
H -3.461677 -3.015416 -1.956652
H -4.868088 -1.916881 -1.966380
H -4.420146 -2.779109 -0.455691
H 1.526359 -0.162865 -2.283383
H 2.126213 0.690560 1.931740
H 0.139580 4.446709 -1.317072
H 1.623636 3.658559 -0.726220
H 0.879282 4.975184 0.246501
H 3.549398 1.196980 -2.849082
H 4.141191 2.068448 1.369809
H 4.866497 2.318351 -1.025649
H 2.841446 -4.080703 -0.387598
H 1.137574 -4.589498 -0.500375
H 2.093375 -4.935217 0.997454


