%chk=000170927.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000170927

2 1
 O   -2.564200      0.7787000      -1.062800    
 O    2.748100      0.6038000      0.3634000    
 O    1.629700      -1.408200      0.3797000    
 N  -0.4757000       2.468800     -1.5799999E-02
 N   -3.002900      -1.766200      0.1100000    
 C   -1.337300       1.612700      0.8373000    
 C   -1.803000      0.3734000      7.4900001E-02
 C   -2.648600     -0.5720000      0.9217000    
 C   0.7814000       1.707600     -0.4583000    
 C  -2.9999999E-02   3.724200      0.7464000    
 C   -1.229800       2.917600      -1.275000    
 C   -3.774400      -1.355700      -1.150700    
 C   -1.739900      -2.520100     -0.3252000    
 C   -3.882000      -2.729700      0.9174000    
 C    1.563700       1.278100      0.7672000    
 C    2.644400     -0.7483000      0.2044000    
 C    3.957000      -1.312700     -0.2164000    
 C    5.141300     -0.4146000     -0.4035000    
 C    4.022200      -2.637500     -0.4147000    
 H   -2.207600       2.224300       1.111900    
 H  -0.8292000       1.363900       1.772800    
 H  -0.9291000     -0.1650000     -0.2802000    
 H   -2.104000     -0.9069000       1.812300    
 H   -3.584800     -9.4300002E-02   1.235400    
 H   0.5189000      0.8777000      -1.120100    
 H    1.382600       2.394900      -1.068300    
 H   0.3150000       3.444600       1.744900    
 H   0.7543000       4.230500      0.1761000    
 H  -0.9030000       4.377500      0.8467000    
 H   -1.174800       2.151100      -2.051700    
 H   -2.245500       3.220500      -1.005700    
 H  -0.7039000       3.794700      -1.670900    
 H   -3.093600      -1.096600      -1.965400    
 H   -4.318100      -2.243200      -1.497300    
 H   -4.516500     -0.5930000     -0.8974000    
 H   -1.104600      -2.668100      0.5529000    
 H   -2.048800      -3.489800     -0.7292000    
 H   -1.216600      -1.972100      -1.112000    
 H   -4.800500      -2.202500       1.191500    
 H   -4.109400      -3.604800      0.3015000    
 H   -3.326700      -3.026100       1.812100    
 H    1.007200      0.6392000       1.457000    
 H    1.914700       2.136000       1.346200    
 H   -3.334600       1.278800     -0.7409000    
 H    4.937000      0.3351000      -1.174900    
 H    5.384700      0.1004000      0.5317000    
 H    6.032100     -0.9714000     -0.7138000    
 H    4.950400      -3.109000     -0.7223000    
 H    3.167600      -3.292300     -0.2808000    


%chk=000170927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170927

2 1
O -1.953383 0.671587 -1.536411
O 2.675788 0.566975 0.199696
O 1.093303 -1.096404 -0.149616
N -0.484168 2.763478 0.136357
N -2.741573 -1.939594 0.272752
C -1.534882 1.759852 0.687384
C -1.690531 0.435971 -0.113822
C -2.796485 -0.420543 0.559017
C 0.831074 2.081584 -0.313555
C -0.195465 3.788218 1.243846
C -1.039735 3.530806 -1.077709
C -2.690553 -2.247777 -1.229136
C -1.525757 -2.578196 0.959137
C -4.017495 -2.563589 0.859367
C 1.612722 1.379755 0.820197
C 2.301634 -0.721261 -0.240707
C 3.461499 -1.478747 -0.768124
C 4.833731 -0.838976 -0.742694
C 3.213363 -2.734579 -1.247922
H -2.484760 2.323950 0.735023
H -1.228686 1.523164 1.721052
H -0.725542 -0.105814 -0.106962
H -2.752724 -0.328184 1.659114
H -3.796625 -0.078391 0.231998
H 0.562483 1.366314 -1.106459
H 1.449111 2.877366 -0.761937
H 0.199492 3.278449 2.134603
H 0.542099 4.514961 0.870581
H -1.129937 4.311078 1.499762
H -1.178212 2.825914 -1.907887
H -1.995728 4.000648 -0.797896
H -0.315921 4.312703 -1.353605
H -1.786749 -1.805775 -1.668000
H -2.678806 -3.341805 -1.349250
H -3.584627 -1.831338 -1.717116
H -1.578534 -2.371702 2.039818
H -1.573013 -3.665440 0.794569
H -0.592855 -2.182508 0.530336
H -4.898340 -2.143769 0.349769
H -3.983387 -3.651506 0.699355
H -4.064823 -2.351727 1.938584
H 0.966436 0.728666 1.437324
H 2.159069 2.088742 1.459749
H -2.875859 1.006427 -1.688951
H 4.856618 0.095849 -1.330132
H 5.137599 -0.578406 0.286407
H 5.585709 -1.526356 -1.160597
H 4.022099 -3.354310 -1.647632
H 2.204530 -3.161758 -1.247575


