%chk=000102639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102639

0 1
 O   -5.556400       1.018000      6.5300003E-02
 O   0.7207000      -2.088900      -2.322700    
 N   -2.743400      0.5887000      0.1290000    
 N    2.410100      -2.765900     -0.9396000    
 C   0.5178000      -1.522400      5.7900000E-02
 C  -0.7997000     -0.8100000     -0.4073000    
 C   -1.538300     -2.4300000E-02  0.6839000    
 C   0.1810000      -2.689600       1.045400    
 C    1.472800     -0.4601000      0.6543000    
 C    1.204300      -2.145100      -1.192400    
 C   -3.666300     -0.4377000     -0.3749000    
 C   -3.416700       1.420600       1.136100    
 C    1.867700      0.6218000     -0.1029000    
 C  -0.7945000      -3.737900      0.5136000    
 C   -4.920100      0.2252000     -0.9378000    
 C   -4.677300       2.039200      0.5384000    
 C    1.872000     -0.6863000       1.948100    
 C    2.742300       1.557000      0.5000000    
 C    2.731900      0.2333000       2.541000    
 C    1.444500      0.8308000      -1.425500    
 C    3.165100       1.348200       1.822800    
 C    3.167800       2.673700     -0.2378000    
 C    1.877300       1.946000      -2.143700    
 C    2.737500       2.865600      -1.550900    
 H   -1.435400      -1.618600     -0.7790000    
 H  -0.7378000     -0.1705000      -1.283500    
 H   -1.788600     -0.6773000       1.528000    
 H  -0.8886000      0.7708000       1.065200    
 H    1.092000      -3.231600       1.330000    
 H  -0.2629000      -2.302500       1.970900    
 H   -3.945400      -1.132700      0.4274000    
 H   -3.246500      -1.012800      -1.203400    
 H   -2.752300       2.224700       1.472400    
 H   -3.687700      0.8146000       2.010500    
 H   -1.810400      -3.342400      0.4267000    
 H  -0.8430000      -4.580500       1.212300    
 H  -0.4840000      -4.133200     -0.4574000    
 H   -4.691700      0.8517000      -1.808800    
 H   -5.634900     -0.5396000      -1.258600    
 H   -5.211800       2.609500       1.304700    
 H   -4.440300       2.727400     -0.2822000    
 H    1.586900      -1.524900       2.567400    
 H    3.068300      8.4100001E-02   3.563000    
 H   0.8745000      0.1558000      -2.033900    
 H    2.935300      -3.202200      -1.690100    
 H    2.826800      -2.803600     -1.5400000E-02
 H    3.837500       2.054000       2.306200    
 H    3.841100       3.404800      0.2050000    
 H    1.562500       2.086200      -3.174000    
 H    3.078500       3.730600      -2.112400    


%chk=000102639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102639

0 1
O -5.569575 1.423953 0.057349
O 0.520027 -2.622115 -2.211499
N -2.851604 0.411059 0.310874
N 2.499390 -2.574609 -1.017712
C 0.487513 -1.580076 0.058319
C -0.887219 -0.981394 -0.392834
C -1.777480 -0.503614 0.772828
C 0.255160 -2.743270 1.096447
C 1.400901 -0.463302 0.633284
C 1.159400 -2.276444 -1.172081
C -3.841697 -0.248968 -0.580366
C -3.547427 1.062452 1.450408
C 1.907671 0.611541 -0.212842
C -0.594759 -3.923893 0.580766
C -4.876586 0.776567 -1.069825
C -4.578152 2.076144 0.929915
C 1.724498 -0.435465 1.999794
C 2.700340 1.672023 0.388079
C 2.509983 0.605862 2.583029
C 1.679781 0.684594 -1.631954
C 2.985414 1.647460 1.792577
C 3.203463 2.740127 -0.427473
C 2.187124 1.733891 -2.401210
C 2.952792 2.778655 -1.798522
H -1.393999 -1.744709 -1.007940
H -0.717560 -0.109434 -1.047538
H -2.209400 -1.381721 1.320673
H -1.158360 0.061579 1.496742
H 1.239187 -3.129307 1.428065
H -0.238812 -2.323829 1.992796
H -4.371622 -1.083074 -0.050983
H -3.320772 -0.677139 -1.455304
H -2.797725 1.587024 2.073395
H -4.071446 0.313013 2.098148
H -1.614243 -3.603993 0.300947
H -0.689883 -4.689028 1.373005
H -0.144813 -4.404481 -0.305055
H -4.367944 1.548119 -1.687455
H -5.669413 0.289811 -1.661769
H -5.158176 2.517612 1.757384
H -4.055287 2.879284 0.366929
H 1.366699 -1.227673 2.661766
H 2.727067 0.576893 3.656371
H 1.108977 -0.097023 -2.139057
H 2.981204 -3.058400 -1.775035
H 3.036058 -2.212820 -0.229823
H 3.583010 2.457380 2.227488
H 3.794923 3.529234 0.052491
H 1.994787 1.754866 -3.479424
H 3.340785 3.598340 -2.412866


