%chk=000018798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018798

0 1
 O   -2.154100       2.645000      0.4100000    
 N   0.4310000      0.4896000      -1.185400    
 N    2.039400       1.315400      0.3659000    
 C   -1.321100       1.486900      0.2648000    
 C  -0.4566000       1.635900      -1.003000    
 C   -2.182100      0.2698000      0.2216000    
 C    1.627300      0.3518000     -0.5195000    
 C   -3.464100      0.3415000     -0.3235000    
 C   -1.705300     -0.9402000      0.7259000    
 C    2.409500     -0.7891000     -0.7651000    
 C    3.620500     -0.9423000     -9.9200003E-02
 C   -4.269400     -0.7967000     -0.3641000    
 C   -2.510700      -2.078400      0.6851000    
 C   -3.792800      -2.006500      0.1401000    
 C    4.041900      3.1800002E-02  0.7990000    
 C    3.222300       1.131800      0.9944000    
 C    4.464100      -2.146300     -0.3468000    
 H  -0.6871000       1.453200       1.158900    
 H   0.1095000       2.575300     -0.9792000    
 H   -1.107000       1.712600      -1.883700    
 H   6.2700003E-02 -0.3130000      -1.683900    
 H   -3.855900       1.267100     -0.7363000    
 H  -0.7119000      -1.011300       1.160400    
 H    2.070200      -1.546000      -1.468000    
 H   -1.568800       3.420400      0.4531000    
 H   -5.266400     -0.7419000     -0.7913000    
 H   -2.140100      -3.020300       1.079000    
 H   -4.419600      -2.892900      0.1080000    
 H    4.979600     -5.6200001E-02   1.337000    
 H    3.504700       1.919600       1.684800    
 H    4.146500      -2.967800      0.3031000    
 H    4.387100      -2.471900      -1.389800    
 H    5.521900      -1.937600     -0.1536000    


%chk=000018798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018798

0 1
O -2.128372 2.655242 0.484933
N 0.450279 0.414426 -1.155695
N 2.072011 1.350898 0.273778
C -1.326941 1.426131 0.346440
C -0.447471 1.548671 -0.943371
C -2.286035 0.251589 0.267276
C 1.684292 0.304904 -0.524753
C -3.587146 0.413765 -0.271308
C -1.863933 -1.038152 0.678083
C 2.506742 -0.849380 -0.726608
C 3.761548 -0.930599 -0.095780
C -4.448795 -0.698114 -0.400707
C -2.724463 -2.152090 0.542886
C -4.019707 -1.985656 0.000217
C 4.166317 0.162808 0.726843
C 3.296636 1.259280 0.870652
C 4.663022 -2.135758 -0.282157
H -0.640421 1.307651 1.209692
H 0.174276 2.457809 -0.853865
H -1.117624 1.654584 -1.815847
H 0.086219 -0.404511 -1.641270
H -3.917129 1.417213 -0.556959
H -0.867841 -1.168323 1.119122
H 2.159889 -1.661704 -1.377014
H -1.512566 3.422238 0.601239
H -5.456904 -0.560881 -0.808724
H -2.389763 -3.142981 0.870789
H -4.690689 -2.846589 -0.098722
H 5.132912 0.152338 1.240575
H 3.576294 2.114443 1.497638
H 4.880967 -2.620622 0.687782
H 4.205754 -2.889961 -0.945058
H 5.633838 -1.839371 -0.721407


