%chk=000104094.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104094

0 1
 O    5.183500       3.223100      5.7000000E-02
 O    6.921300      -1.239000      0.7119000    
 O   -2.627600      -3.084300      0.1629000    
 O   -3.254600       2.117500     -0.7627000    
 O   -7.580700       2.061200       1.344100    
 N    4.728600      0.4453000      0.1721000    
 N  -0.4011000      -1.665000     -0.5970000    
 N   -5.480800      0.6984000     -1.2000001E-03
 C    3.436600     -8.6300001E-02 -2.1500001E-02
 C    5.446500       1.050100     -0.9321000    
 C    5.349600      0.4063000       1.481300    
 C    2.357900      0.4217000      0.7022000    
 C    3.237800      -1.119800     -0.9369000    
 C   0.8813000      -1.137600     -0.4046000    
 C    4.975600       2.479800      -1.137400    
 C    5.962700     -0.9622000       1.725100    
 C    1.080200     -0.1039000      0.5106000    
 C    1.960100      -1.645500      -1.128400    
 C   -1.604300      -1.034300     -0.4702000    
 C   -4.277500      6.7800000E-02 -0.1280000    
 C   -2.753200      -1.882600     -5.4600000E-02
 C   -1.807900      0.2692000     -0.6927000    
 C   -3.128900      0.9158000     -0.5445000    
 C   -4.074100      -1.235900      9.4200000E-02
 C   -6.683800      3.1500001E-02  0.4246000    
 C   -7.847200       1.008700      0.4257000    
 H    5.321000      0.4794000      -1.859000    
 H    6.522500       1.058200     -0.7184000    
 H    4.635100      0.6423000       2.277700    
 H    6.140800       1.163600       1.542900    
 H    2.493400       1.230100       1.415900    
 H    4.068600      -1.535100      -1.501300    
 H    5.543000       2.953100      -1.944900    
 H    3.910500       2.518500      -1.388300    
 H    6.466900     -0.9836000       2.696300    
 H    5.202800      -1.750300       1.707500    
 H   0.2699000      0.2962000       1.113500    
 H    1.817800      -2.452000      -1.843300    
 H  -0.4400000      -2.655600     -0.8138000    
 H   -1.008900      0.9257000      -1.023900    
 H   -4.876800      -1.899400      0.4002000    
 H   -5.505400       1.695500     -0.1897000    
 H   -6.546400     -0.3614000       1.439100    
 H   -6.923800     -0.8005000     -0.2472000    
 H    4.875300       4.129300     -0.1140000    
 H    7.293000      -2.116800      0.9035000    
 H   -7.996800       1.445400     -0.5674000    
 H   -8.767800      0.5035000      0.7338000    
 H   -8.345800       2.660800       1.320100    


%chk=000104094-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104094

0 1
O 6.707365 2.307276 -1.303238
O 6.812485 -0.656668 2.109250
O -2.571115 -2.040511 -2.159222
O -3.777164 1.455068 1.909989
O -8.181163 0.942918 1.921741
N 4.884426 0.383584 0.077997
N -0.577247 -0.847396 -0.997136
N -5.786023 0.208332 0.708591
C 3.540604 0.082349 -0.164282
C 5.937029 0.058879 -0.899939
C 5.314170 1.057617 1.315259
C 2.525423 0.310398 0.821540
C 3.105569 -0.478602 -1.411669
C 0.753061 -0.508658 -0.671858
C 6.131829 1.132800 -1.982373
C 5.602418 0.098074 2.480721
C 1.172081 0.026748 0.576257
C 1.755119 -0.765458 -1.649701
C -1.790511 -0.501982 -0.464395
C -4.549701 -0.117131 0.245923
C -2.912259 -1.244600 -1.200830
C -2.079128 0.394260 0.567558
C -3.435612 0.637632 0.974236
C -4.264514 -1.014896 -0.786091
C -7.056935 -0.332116 0.233786
C -8.178709 0.682287 0.473137
H 5.724686 -0.914038 -1.380941
H 6.884299 -0.063568 -0.349013
H 4.554521 1.797135 1.629529
H 6.232442 1.625090 1.089549
H 2.791411 0.699671 1.807929
H 3.823414 -0.682354 -2.210484
H 6.829686 0.746535 -2.757060
H 5.162791 1.384341 -2.460253
H 5.778208 0.691390 3.404484
H 4.743451 -0.584234 2.646584
H 0.455304 0.181442 1.384781
H 1.461479 -1.184026 -2.620484
H -0.725599 -1.495883 -1.799032
H -1.315079 0.977190 1.082912
H -5.043218 -1.575241 -1.311406
H -5.796691 0.847563 1.520248
H -7.301887 -1.277798 0.759917
H -6.992734 -0.553434 -0.847933
H 6.732139 3.076649 -1.924374
H 6.978702 -1.372500 2.771321
H -7.975399 1.611519 -0.098617
H -9.144367 0.249583 0.139893
H -8.790154 1.691662 2.136397


