%chk=000000895.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000895

0 1
 O   -3.563900       1.075800       1.326300    
 O    5.054200     -0.1201000     -0.9313000    
 O    4.493200      0.6450000       1.132100    
 N   -2.367200       1.629100     -0.5898000    
 N    1.079500      -4.303200      0.3194000    
 C  -0.3943000       2.518000      0.5684000    
 C   0.6059000       1.850000     -0.3781000    
 C   -2.636200      -1.287100      -1.050100    
 C   -1.858800      -1.888200      0.1244000    
 C   -1.735200       2.827800     -8.7600000E-02
 C   -3.753900     -0.3515000     -0.5929000    
 C    1.940300       1.511600      0.2891000    
 C  -0.7664000      -2.842900     -0.3639000    
 C   -3.231000      0.8532000      0.1643000    
 C    2.895400      0.8356000     -0.6947000    
 C   3.2099999E-02  -3.413500      0.8069000    
 C    4.206100      0.4604000     -4.2399999E-02
 H   3.6600001E-02   3.450900      0.9511000    
 H  -0.5564000       1.863600       1.434300    
 H   0.7859000       2.511900      -1.234300    
 H   0.1749000      0.9246000     -0.7787000    
 H   -3.085400      -2.099200      -1.635300    
 H   -1.942300     -0.7693000      -1.721700    
 H   -2.548600      -2.425900      0.7862000    
 H   -1.397300      -1.089600      0.7170000    
 H   -2.401700       3.310300      0.6351000    
 H   -1.601000       3.507100     -0.9358000    
 H   -4.314500      9.7000003E-03  -1.462900    
 H   -4.460400     -0.8890000      4.9899999E-02
 H    2.399500       2.426400      0.6837000    
 H    1.763600      0.8511000       1.147100    
 H   -1.223600      -3.658700     -0.9379000    
 H  -9.2000000E-02  -2.307200      -1.044300    
 H   -2.183700       1.376400      -1.555800    
 H    2.438800     -8.0200002E-02  -1.086500    
 H    3.110000       1.513400      -1.528300    
 H   0.4931000      -2.601600       1.379600    
 H  -0.6291000      -3.966100       1.483300    
 H   0.6606000      -5.079000     -0.1919000    
 H    1.569100      -4.715200       1.112600    
 H    5.907600     -0.3660000     -0.5148000    


%chk=000000895-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000000895

0 1
O -3.600584 1.581100 1.345202
O 5.048885 0.494429 0.362480
O 4.019668 -1.514812 0.874632
N -2.449695 1.536286 -0.672007
N 1.625462 -3.105177 -0.346655
C -0.300633 2.363441 0.357269
C 0.659387 1.494898 -0.486780
C -3.105844 -1.362949 -0.798448
C -1.973737 -1.788646 0.168778
C -1.625712 2.719425 -0.364076
C -4.052986 -0.292652 -0.193807
C 1.903550 1.039180 0.308807
C -0.786519 -2.472312 -0.545016
C -3.356814 1.010080 0.237271
C 2.837773 0.131552 -0.547176
C 0.396098 -2.773722 0.402753
C 3.980694 -0.409762 0.278240
H 0.204748 3.308474 0.642384
H -0.552955 1.841218 1.300657
H 0.980126 2.059021 -1.387630
H 0.123462 0.593465 -0.848119
H -3.706504 -2.246936 -1.089929
H -2.657593 -0.990643 -1.744836
H -2.388536 -2.450356 0.955716
H -1.591102 -0.890556 0.695185
H -2.229925 3.375327 0.286346
H -1.418494 3.257971 -1.308711
H -4.855788 -0.044751 -0.917096
H -4.545297 -0.686646 0.712196
H 2.469641 1.921436 0.665164
H 1.573164 0.481639 1.207768
H -1.121734 -3.405239 -1.044631
H -0.403639 -1.807987 -1.346036
H -2.264026 1.020036 -1.532458
H 2.270153 -0.736284 -0.932575
H 3.240986 0.717553 -1.391743
H 0.609666 -1.863203 0.997036
H 0.086886 -3.557031 1.136735
H 1.605648 -4.022660 -0.802658
H 2.495146 -2.934779 0.173950
H 5.760472 0.108972 0.943619


