%chk=000095522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095522

0 1
 O   -2.620200      -2.281000      0.2388000    
 O   -2.620700       2.280500      0.2393000    
 O  -0.8836000      -1.926200      -1.242700    
 O  -0.8845000       1.925500      -1.242600    
 N    1.733400      -1.406600      0.3868000    
 N    1.732600       1.406700      0.3859000    
 C  -0.6911000      -1.249800       1.055200    
 C  -0.6916000       1.248700       1.055200    
 C   -1.427000     -6.9999998E-04   1.588600    
 C   0.6479000     -0.6864000      0.6911000    
 C   0.6476000      0.6859000      0.6908000    
 C   -1.380000      -1.848700     -0.1270000    
 C   -1.380800       1.847600     -0.1270000    
 C    2.842500     -0.7081000      7.7200003E-02
 C    2.842200      0.7087000      7.6499999E-02
 C    4.015600      -1.382400     -0.2499000    
 C    4.014600       1.383300     -0.2517000    
 C   -3.395200      -2.880000     -0.8046000    
 C   -3.395400       2.880600     -0.8037000    
 C    5.182300     -0.6931000     -0.5759000    
 C    5.181700      0.6941000     -0.5772000    
 C   -4.735300      -3.303900     -0.2423000    
 C   -4.735100       3.305100     -0.2410000    
 H  -0.5818000      -2.014800       1.831600    
 H  -0.5824000       2.013700       1.831700    
 H   -2.499400     -7.9999998E-04   1.366700    
 H   -1.339300     -6.0000003E-04   2.684600    
 H    4.032500      -2.470600     -0.2539000    
 H    4.030900       2.471500     -0.2571000    
 H   -3.545200      -2.153100      -1.610600    
 H   -2.864900      -3.754700      -1.197400    
 H   -2.864500       3.755100      -1.196200    
 H   -3.545900       2.154100      -1.610100    
 H    6.085800      -1.239900     -0.8278000    
 H    6.084800       1.241200     -0.8299000    
 H   -5.355300      -3.766600      -1.015300    
 H   -4.600900      -4.017300      0.5775000    
 H   -5.269600      -2.442100      0.1709000    
 H   -5.354900       3.768500      -1.013600    
 H   -5.269800       2.443300      0.1719000    
 H   -4.600100       4.017900      0.5792000    


%chk=000095522-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095522

0 1
O -2.619234 -2.518702 0.224659
O -2.619111 2.519072 0.225439
O -1.070525 -1.875697 -1.396551
O -1.072907 1.872409 -1.396712
N 1.717563 -1.458280 0.387065
N 1.716876 1.458386 0.386981
C -0.737283 -1.262927 1.001703
C -0.737814 1.261955 1.001846
C -1.495610 -0.000691 1.559480
C 0.632664 -0.720651 0.650325
C 0.632334 0.720261 0.650320
C -1.442379 -1.893506 -0.206007
C -1.443352 1.892195 -0.205746
C 2.868963 -0.727014 0.088588
C 2.868616 0.727648 0.088522
C 4.075427 -1.426546 -0.215999
C 4.074741 1.427729 -0.216144
C -3.435891 -3.176883 -0.844099
C -3.436263 3.176822 -0.843204
C 5.241451 -0.715157 -0.514152
C 5.241106 0.716870 -0.514228
C -4.647821 -3.794604 -0.154911
C -4.646931 3.796386 -0.153458
H -0.678682 -2.048164 1.775719
H -0.679487 2.047121 1.775937
H -2.563931 -0.000945 1.294738
H -1.426980 -0.000718 2.660623
H 4.046916 -2.520494 -0.212496
H 4.045712 2.521664 -0.212737
H -3.713661 -2.409919 -1.589702
H -2.802310 -3.929451 -1.347033
H -2.802504 3.928261 -1.347602
H -3.715495 2.409303 -1.587689
H 6.165198 -1.253443 -0.752475
H 6.164596 1.255574 -0.752604
H -5.286368 -4.298739 -0.903112
H -4.336229 -4.541602 0.594945
H -5.251256 -3.022545 0.352576
H -5.285756 4.300334 -0.901548
H -5.250573 3.025413 0.355431
H -4.333910 4.543875 0.595314


