%chk=000090412.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090412

0 1
 O    2.851900       2.545400      4.7600001E-02
 O    7.235800      -1.975000      2.8000001E-02
 N   -1.091200       1.085100     -0.3708000    
 C   -3.829200      0.4094000      0.4295000    
 C   -3.522300       1.449900     -0.6588000    
 C   -2.669600     -0.5936000      0.5335000    
 C   -2.153900       2.097900     -0.4320000    
 C   -1.331500      0.1273000      0.7171000    
 C   0.2152000       1.723900     -0.2104000    
 C   -5.164400     -0.2751000      0.2099000    
 C    1.336600      0.6853000     -0.1898000    
 C   -6.321500      0.2630000      0.7702000    
 C   -5.231300      -1.440500     -0.5513000    
 C    2.708500       1.328600     -4.8700001E-02
 C   -7.549700     -0.3664000      0.5683000    
 C   -6.459700      -2.070000     -0.7531000    
 C   -7.619000      -1.533000     -0.1933000    
 C    3.914300      0.4488000     -2.7799999E-02
 C    3.739300     -0.9117000     -0.1371000    
 C    5.154000       1.032400      9.9200003E-02
 C    4.865900      -1.733800     -0.1184000    
 C    6.280700      0.2102000      0.1180000    
 C    6.136700      -1.172800      9.2000002E-03
 C    8.504400      -1.335600      0.1611000    
 H   -3.880400      0.9335000       1.395200    
 H   -4.295500       2.228200     -0.6668000    
 H   -3.544300      0.9782000      -1.650500    
 H   -2.574000      -1.205400     -0.3706000    
 H   -2.834500      -1.281600       1.372100    
 H   -1.962800       2.786900      -1.263800    
 H   -2.178400       2.696800      0.4880000    
 H   -1.307000      0.6240000       1.695800    
 H  -0.5883000     -0.6743000      0.7307000    
 H   0.2492000       2.327100      0.7070000    
 H   0.3906000       2.411000      -1.048400    
 H    1.244600      2.9200001E-02  0.6800000    
 H    1.308600      0.1026000      -1.117300    
 H   -6.281300       1.172500       1.363500    
 H   -4.365900      -1.881100      -1.032100    
 H   -8.452500      5.2200001E-02   1.003400    
 H   -6.515300      -2.974500      -1.351800    
 H   -8.575600      -2.022100     -0.3520000    
 H    2.773100      -1.392000     -0.2377000    
 H    5.287000       2.106500      0.1850000    
 H    4.748200      -2.810700     -0.2033000    
 H    7.237100      0.7116000      0.2197000    
 H    8.592100     -0.8109000       1.118500    
 H    8.717000     -0.6817000     -0.6916000    
 H    9.265200      -2.123000      0.1574000    


%chk=000090412-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090412

0 1
O 2.868805 2.580296 -0.047816
O 7.439654 -1.990730 -0.053116
N -1.098414 1.025969 -0.099170
C -3.983129 0.500475 0.388433
C -3.469617 1.311288 -0.833340
C -2.861341 -0.473076 0.846569
C -2.134133 2.008392 -0.512576
C -1.540134 0.277352 1.104453
C 0.226516 1.672857 0.077479
C -5.300623 -0.218340 0.110601
C 1.377730 0.652342 0.055769
C -6.456617 0.063093 0.882685
C -5.404284 -1.190079 -0.921016
C 2.757195 1.315874 -0.002892
C -7.680010 -0.602235 0.637409
C -6.622996 -1.857810 -1.170380
C -7.767992 -1.567069 -0.391380
C 3.972513 0.441777 -0.012858
C 3.905056 -0.981726 -0.003840
C 5.252984 1.055597 -0.037347
C 5.072648 -1.759294 -0.018327
C 6.433936 0.291922 -0.050594
C 6.343144 -1.125816 -0.041058
C 8.782787 -1.399509 -0.079517
H -4.154922 1.222129 1.215977
H -4.222118 2.066630 -1.130321
H -3.320241 0.632340 -1.694501
H -2.693229 -1.236706 0.063218
H -3.173403 -1.003475 1.766665
H -1.765671 2.544180 -1.407139
H -2.304965 2.777846 0.288043
H -1.673544 0.971641 1.978375
H -0.755872 -0.449313 1.384928
H 0.278623 2.278918 1.015772
H 0.378445 2.383148 -0.754683
H 1.343771 -0.014086 0.940645
H 1.247522 -0.006347 -0.826950
H -6.395924 0.810654 1.683941
H -4.526515 -1.426255 -1.535007
H -8.560695 -0.368274 1.246748
H -6.682136 -2.603957 -1.971346
H -8.714197 -2.084944 -0.584855
H 2.935128 -1.489261 0.010070
H 5.293648 2.150193 -0.046558
H 5.034522 -2.852604 -0.013878
H 7.404711 0.795820 -0.068661
H 8.964709 -0.778872 0.818595
H 8.934583 -0.791405 -0.991680
H 9.470990 -2.256850 -0.085070


