%chk=000033132.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033132

0 1
 O   -1.900300     -0.4867000      0.1237000    
 O  -1.1800000E-02  -2.106400     -0.8024000    
 O    1.304100       1.601100       1.761300    
 O    4.371400     -0.7513000     -0.7113000    
 N    2.159800      -1.367500     -0.8334000    
 N    2.817200      0.4842000      0.4478000    
 C   0.4228000      0.1194000      5.6000002E-02
 C  -0.8233000     -4.8099998E-02  0.9378000    
 C   9.0300001E-02   1.052400      -1.122200    
 C   0.8115000      -1.230300     -0.5389000    
 C    1.529800      0.7933000      0.8607000    
 C  -0.5816000      -1.047900       2.051000    
 C  -0.2327000       2.425700     -0.6352000    
 C   -3.090800     -0.6627000      0.8810000    
 C    3.196100     -0.5486000     -0.4015000    
 C   -4.199900      -1.131300     -4.8400000E-02
 C   -1.399700       3.038500     -0.8636000    
 C   -4.462800     -0.1338000      -1.162100    
 H   -1.101300      0.9093000       1.397600    
 H  -0.7175000      0.6448000      -1.743500    
 H   0.9552000       1.136800      -1.794800    
 H   0.3986000     -0.9216000       2.521700    
 H   -1.310200     -0.9177000       2.859700    
 H  -0.6666000      -2.086500       1.714100    
 H    2.428700      -2.197800      -1.354000    
 H    3.570500       1.018800      0.8712000    
 H   0.5458000       3.011600     -0.1549000    
 H   -3.372600      0.2804000       1.363600    
 H   -2.975100      -1.437500       1.644100    
 H   -3.919800      -2.089700     -0.5013000    
 H   -5.118600      -1.290800      0.5267000    
 H   -1.560900       4.057100     -0.5283000    
 H   -2.211100       2.538700      -1.381200    
 H   -3.588200     -1.2600000E-02  -1.809100    
 H   -5.293600     -0.4771000      -1.786900    
 H   -4.728400      0.8477000     -0.7561000    


%chk=000033132-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033132

0 1
O -1.919413 -0.585896 0.257172
O 0.216603 -2.179026 -1.032043
O 1.340620 1.515805 1.858934
O 4.557627 -0.561556 -0.760467
N 2.338128 -1.283378 -0.936516
N 2.891016 0.522868 0.471040
C 0.460628 0.011702 0.106810
C -0.739528 -0.272506 1.071780
C 0.009296 1.009652 -1.055813
C 0.954604 -1.250266 -0.627935
C 1.568317 0.722806 0.907465
C -0.444826 -1.400913 2.079376
C -0.485894 2.355765 -0.570886
C -3.187524 -0.208693 0.909083
C 3.348380 -0.444407 -0.443470
C -4.335371 -0.770994 0.062037
C -1.703484 2.865792 -0.881396
C -4.395610 -0.182537 -1.362947
H -0.909876 0.677796 1.619822
H -0.788816 0.484276 -1.606475
H 0.873131 1.153565 -1.737144
H 0.443131 -1.164381 2.694515
H -1.297375 -1.523948 2.770044
H -0.290104 -2.358987 1.556035
H 2.651755 -2.051618 -1.539049
H 3.618130 1.087929 0.921897
H 0.207119 2.953138 0.038080
H -3.244560 0.900197 0.983874
H -3.231113 -0.632998 1.935463
H -4.219321 -1.869913 0.007723
H -5.285574 -0.569039 0.596259
H -2.005259 3.865530 -0.548744
H -2.427741 2.299369 -1.478884
H -3.452666 -0.383519 -1.900205
H -5.223886 -0.630190 -1.941339
H -4.555544 0.912475 -1.335196


