%chk=000112525.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112525

0 1
 O   -1.285500     -0.9743000       2.212800    
 O    4.171100      0.8409000     -0.2853000    
 O    2.273100       1.491000      0.8036000    
 N   -1.900000     -2.0400001E-02  0.2070000    
 N   0.3152000     -0.1403000      0.7848000    
 N   0.5690000      -2.261700     -0.3354000    
 N    2.352500     -0.6071000     -0.2459000    
 C   -3.325600     -0.1867000      0.3834000    
 C   -4.024600     -0.4133000     -0.9614000    
 C   -3.931000       1.006700       1.129900    
 C   -4.072000      0.8529000      -1.816600    
 C   -3.978800       2.270600      0.2713000    
 C   -4.688600       2.023100      -1.056200    
 C  -0.9761000     -0.4344000       1.151700    
 C    1.010600      -1.004600      9.0800002E-02
 C  -9.5600002E-02  -2.458900      -1.617000    
 C   0.4918000      -3.382000      0.5965000    
 C    3.247100      -1.472300      -1.018900    
 C    2.888100      0.6483000      0.1520000    
 C    4.777000       2.092600      5.6899998E-02
 C    6.182400       2.129900     -0.5042000    
 H   -3.475800      -1.083500      0.9975000    
 H   -3.523100      -1.211400      -1.521700    
 H   -5.052000     -0.7520000     -0.7764000    
 H   -4.953600      0.7521000       1.436900    
 H   -3.368200       1.213400       2.047900    
 H   -3.062000       1.121300      -2.147600    
 H   -4.656900      0.6580000      -2.723000    
 H   -4.494600       3.066800      0.8201000    
 H   -2.959300       2.626900      8.0600001E-02
 H   -4.644400       2.927900      -1.672700    
 H   -5.749600       1.816600     -0.8686000    
 H   -1.554400      0.4668000     -0.6141000    
 H   0.1231000      -1.632500      -2.301200    
 H   -1.179800      -2.513900      -1.478900    
 H   0.2458000      -3.385300      -2.089800    
 H  -0.5338000      -3.508000      0.9574000    
 H   0.8081000      -4.309700      0.1090000    
 H    1.145900      -3.218500       1.459500    
 H    4.166400      -1.640800     -0.4485000    
 H    3.500000     -0.9695000      -1.958000    
 H    2.800500      -2.440800      -1.247900    
 H    4.186800       2.911800     -0.3685000    
 H    4.810900       2.195300       1.147200    
 H    6.166000       2.009300      -1.592400    
 H    6.779700       1.304900     -0.1022000    
 H    6.676000       3.074800     -0.2606000    


%chk=000112525-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112525

0 1
O -1.884605 -1.866340 1.562101
O 3.553993 0.867634 -0.617336
O 1.443078 0.643030 -1.622541
N -2.042999 -0.177901 -0.048732
N 0.057132 -0.914727 0.538259
N 1.003836 -2.977388 -0.353246
N 2.298043 -0.991818 -0.140159
C -3.512518 -0.050834 0.034791
C -4.057470 0.585412 -1.267952
C -3.946102 0.776926 1.278383
C -3.686689 2.084883 -1.398843
C -3.557274 2.267337 1.147515
C -4.132414 2.885560 -0.150452
C -1.329712 -1.076519 0.724394
C 1.006335 -1.640076 0.028118
C 1.968043 -3.535083 -1.320095
C -0.095385 -3.885832 0.026545
C 3.411211 -1.404975 0.746191
C 2.333080 0.209524 -0.848516
C 3.732603 2.139353 -1.375807
C 5.109390 2.680042 -1.002805
H -3.912226 -1.076279 0.148772
H -3.693729 0.014436 -2.144045
H -5.161576 0.492390 -1.253657
H -5.047390 0.689312 1.384282
H -3.494975 0.323511 2.179409
H -2.590856 2.201123 -1.535269
H -4.153799 2.503238 -2.311331
H -3.916044 2.829755 2.031007
H -2.451937 2.357348 1.141073
H -3.820613 3.943899 -0.245372
H -5.241256 2.880328 -0.094349
H -1.499860 0.463669 -0.631262
H 2.665365 -2.754370 -1.655487
H 1.429197 -3.930110 -2.203683
H 2.543862 -4.365869 -0.867321
H -0.825746 -4.002236 -0.799011
H 0.328693 -4.880948 0.257331
H -0.631045 -3.501347 0.909761
H 3.451164 -0.773587 1.652222
H 4.373800 -1.320794 0.218388
H 3.246542 -2.452076 1.047217
H 3.640873 1.921781 -2.455516
H 2.917525 2.830058 -1.094507
H 5.904121 1.967909 -1.284256
H 5.177540 2.868074 0.082352
H 5.292593 3.632575 -1.532761


