%chk=000018796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018796

0 1
 O   -2.020800       2.156100       1.456700    
 O   9.1300003E-02   1.837200     -0.2698000    
 N   0.6505000     -0.1177000      0.9065000    
 N    2.606000      -1.443900       1.005700    
 C   -1.550000      0.8362000       1.190400    
 C   -2.547500      0.1114000      0.3513000    
 C  -0.1773000      0.9287000      0.5111000    
 C   -3.338600      0.8158000     -0.5562000    
 C   -2.689100      -1.271000      0.4738000    
 C    1.982000     -0.3663000      0.4974000    
 C    3.845400      0.2877000     -0.8052000    
 C    2.537300      0.5238000     -0.3973000    
 C   -4.271600      0.1380000      -1.341100    
 C   -3.622000      -1.948600     -0.3112000    
 C   -4.413100      -1.244100      -1.218700    
 C    4.534600     -0.8131000     -0.3087000    
 C    4.507000       1.210900      -1.771000    
 C    3.876000      -1.640800      0.5862000    
 H   -1.457600      0.3450000       2.166700    
 H   0.2848000     -0.8029000       1.562900    
 H   -3.240100       1.890500     -0.6822000    
 H   -2.079100      -1.832200       1.176600    
 H    2.061400       1.393200     -0.8184000    
 H   -4.885500      0.6857000      -2.050100    
 H   -3.732100      -3.024900     -0.2162000    
 H   -5.138800      -1.772000      -1.830500    
 H    5.555900      -1.028800     -0.6033000    
 H   -1.413200       2.556800       2.102000    
 H    5.481100      0.8300000      -2.096200    
 H    3.888800       1.334600      -2.666400    
 H    4.665800       2.190600      -1.308800    
 H    4.369500      -2.512700       1.003000    


%chk=000018796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018796

0 1
O -2.229764 2.496581 1.168312
O 0.310758 2.360688 0.463023
N 0.384566 0.011885 0.409502
N 1.962849 -1.584157 -0.154380
C -1.673780 1.159570 1.238917
C -2.567961 0.150939 0.526582
C -0.224826 1.220573 0.647778
C -3.235195 0.509632 -0.669966
C -2.718286 -1.160810 1.041618
C 1.709657 -0.245838 -0.031084
C 3.953105 0.378679 -0.738426
C 2.659252 0.766471 -0.309378
C -4.026488 -0.439585 -1.351535
C -3.507320 -2.113147 0.355666
C -4.159559 -1.755422 -0.845826
C 4.224267 -1.007764 -0.870127
C 5.006622 1.426572 -1.037204
C 3.207736 -1.941979 -0.570558
H -1.558250 0.853370 2.303432
H -0.174572 -0.844348 0.513285
H -3.147782 1.537800 -1.035133
H -2.245037 -1.434132 1.994583
H 2.379090 1.816025 -0.195676
H -4.544377 -0.154643 -2.274284
H -3.620619 -3.123573 0.763671
H -4.775381 -2.489679 -1.376906
H 5.207344 -1.356833 -1.201683
H -1.460857 3.108933 0.969727
H 5.911985 0.979056 -1.480408
H 4.620991 2.190781 -1.735981
H 5.306611 1.956219 -0.113523
H 3.386220 -3.018665 -0.665022


