%chk=000058981.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058981

0 1
 O   -1.548500      -1.783400       1.105200    
 O   -5.785300       1.707900      0.5766000    
 N   -2.757600      -1.039500     -0.7350000    
 C    3.398600     -0.3013000      0.2081000    
 C    2.096900     -0.2104000     -0.5934000    
 C    4.592100      0.3494000     -0.4948000    
 C   0.8888000     -0.7944000      0.1414000    
 C    5.846600      0.2948000      0.3801000    
 C  -0.3932000     -0.6128000     -0.6697000    
 C    7.031000      0.9785000     -0.3027000    
 C   -1.605900      -1.215600      1.7899999E-02
 C   -4.057400      -1.515000     -0.3190000    
 C    8.287900      0.8968000      0.5487000    
 C   -4.821100     -0.4834000      0.5007000    
 C   -5.086900      0.8042000     -0.2699000    
 C   -6.086100       2.924000     -9.4200000E-02
 H    3.624700      -1.355700      0.4092000    
 H    3.249100      0.1814000       1.182000    
 H    1.898400      0.8427000     -0.8287000    
 H    2.227100     -0.7295000      -1.551100    
 H    4.353200       1.394200     -0.7277000    
 H    4.779700     -0.1602000      -1.447400    
 H   0.7780000     -0.3063000       1.117600    
 H    1.059800      -1.859900      0.3381000    
 H    6.097600     -0.7512000      0.5946000    
 H    5.647900      0.7832000       1.341900    
 H  -0.2855000      -1.090000      -1.651200    
 H  -0.5859000      0.4544000     -0.8320000    
 H    7.224300      0.5070000      -1.273300    
 H    6.793100       2.031200     -0.4949000    
 H   -4.614500      -1.772600      -1.226000    
 H   -3.928800      -2.430300      0.2688000    
 H    8.571800     -0.1447000      0.7305000    
 H    8.138700       1.386500       1.516300    
 H    9.121800       1.392500      4.1999999E-02
 H   -2.697100     -0.5504000      -1.623400    
 H   -5.775900     -0.9107000      0.8310000    
 H   -4.267200     -0.2444000       1.417500    
 H   -5.691400      0.5902000      -1.159100    
 H   -4.145200       1.267300     -0.5855000    
 H   -5.166300       3.425900     -0.4100000    
 H   -6.729600       2.736300     -0.9592000    
 H   -6.619000       3.578000      0.6013000    


%chk=000058981-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058981

0 1
O -1.467818 -2.410269 0.343532
O -6.008313 1.649269 0.824384
N -2.746529 -0.879573 -0.858087
C 3.380909 -0.115205 0.210102
C 2.199257 -0.241574 -0.777883
C 4.707014 0.284270 -0.475635
C 0.881113 -0.667620 -0.096237
C 5.898648 0.388486 0.502734
C -0.287993 -0.802348 -1.098699
C 7.223764 0.783958 -0.188393
C -1.533702 -1.433437 -0.463978
C -4.043589 -1.396907 -0.386833
C 8.413587 0.871560 0.791761
C -4.802855 -0.425341 0.545199
C -5.255247 0.861356 -0.153989
C -6.486644 2.914035 0.271948
H 3.517584 -1.081118 0.739198
H 3.130581 0.633296 0.990742
H 2.056233 0.727100 -1.302301
H 2.459506 -0.983948 -1.562032
H 4.573587 1.256516 -0.995371
H 4.947381 -0.458813 -1.265076
H 0.611306 0.065140 0.690730
H 1.009812 -1.640837 0.413306
H 6.033412 -0.583699 1.021610
H 5.663128 1.131651 1.293363
H 0.031290 -1.467679 -1.927331
H -0.526607 0.180811 -1.551928
H 7.452670 0.045470 -0.983998
H 7.090568 1.759445 -0.699721
H -4.674561 -1.658454 -1.260832
H -3.813831 -2.329285 0.157087
H 8.586449 -0.100411 1.291397
H 8.222989 1.623419 1.581040
H 9.347730 1.155839 0.272977
H -2.732101 -0.089135 -1.503976
H -5.700735 -0.939485 0.937704
H -4.168234 -0.167065 1.411909
H -5.900427 0.624400 -1.033111
H -4.380212 1.450588 -0.517901
H -5.644630 3.560817 -0.057600
H -7.168884 2.751838 -0.590611
H -7.036909 3.417638 1.082098


