%chk=000018675.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018675

0 1
 O    3.149800       1.951100     -0.2255000    
 N   -1.449300     -0.2623000     -5.1500000E-02
 N   -5.142900      0.2291000     -0.2769000    
 N   -5.978100       1.265200      0.2379000    
 C  -0.5346000      -1.230200     -0.6557000    
 C   -2.830200     -0.5571000     -0.4327000    
 C   0.9031000     -0.9206000     -0.3329000    
 C   -3.767700      0.5133000      0.1181000    
 C   -1.309000     -0.2659000       1.404100    
 C    1.359200      0.3863000     -0.4322000    
 C    1.751200      -1.946400      5.9999999E-02
 C    2.691100      0.6732000     -0.1324000    
 C    3.082700      -1.659600      0.3596000    
 C    3.552800     -0.3498000      0.2636000    
 C    4.521900       2.173700      9.6400000E-02
 H  -0.6327000      -1.210200      -1.749000    
 H  -0.7872000      -2.248800     -0.3308000    
 H   -3.137000      -1.550800     -7.8900002E-02
 H   -2.910900     -0.5644000      -1.527700    
 H   -3.456000       1.500400     -0.2488000    
 H   -3.745700      0.5329000       1.212600    
 H   -1.811900      0.5932000       1.858600    
 H  -0.2742000     -0.1597000       1.744800    
 H   -1.704300      -1.184200       1.855000    
 H   0.7037000       1.191700     -0.7527000    
 H    1.397700      -2.970600      0.1378000    
 H   -5.216000      0.2121000      -1.293500    
 H    3.753000      -2.456800      0.6676000    
 H    4.597700     -0.1976000      0.5112000    
 H   -5.781800       2.136500     -0.2543000    
 H   -6.949400       1.039300      2.7000001E-02
 H    5.188100       1.644500     -0.5935000    
 H    4.733500       1.934000       1.143900    
 H    4.714400       3.244000     -3.1700000E-02


%chk=000018675-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018675

0 1
O 2.997273 1.992742 -0.112874
N -1.472702 -0.435261 0.254408
N -4.999466 0.567946 -0.686155
N -5.999761 1.483865 -0.256561
C -0.547424 -1.424562 -0.345700
C -2.852278 -0.566248 -0.271815
C 0.927276 -1.064157 -0.174121
C -3.751183 0.629587 0.108511
C -1.415515 -0.446938 1.732440
C 1.338074 0.284847 -0.192381
C 1.903301 -2.087584 -0.047805
C 2.710391 0.615506 -0.088447
C 3.270017 -1.752195 0.047070
C 3.690730 -0.401856 0.028858
C 4.401065 2.391750 -0.004903
H -0.775643 -1.470224 -1.429986
H -0.714630 -2.458498 0.054157
H -3.354058 -1.507772 0.065512
H -2.781701 -0.617285 -1.378136
H -3.169808 1.571126 -0.042955
H -4.055277 0.590053 1.167583
H -1.991117 0.398443 2.144765
H -0.368198 -0.333473 2.059186
H -1.819248 -1.394177 2.172214
H 0.589412 1.078968 -0.273039
H 1.591252 -3.138516 -0.022328
H -4.807590 0.604464 -1.702053
H 4.021067 -2.544696 0.144095
H 4.755352 -0.162894 0.110181
H -5.937978 2.456390 -0.583200
H -6.937836 1.083470 -0.241476
H 5.001455 1.993918 -0.846785
H 4.844295 2.057650 0.953971
H 4.391453 3.491110 -0.044729


