%chk=000112996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112996

0 1
 O   -1.282600       2.345400     -0.3901000    
 O    3.682700      -3.166300      0.3333000    
 O    4.252300     -0.5317000      -1.584300    
 O    5.149100     -0.2084000      0.5253000    
 N    1.437800      -2.852400      0.7938000    
 N   -3.007700      0.5948000      0.4018000    
 C   0.5460000     -0.6053000      0.5554000    
 C    1.915600     -4.4300001E-02  0.4394000    
 C  -0.5596000      0.2473000      0.3888000    
 C   0.3241000      -1.968400      0.7858000    
 C    2.090800       1.444500      0.5038000    
 C   0.9833000       2.267800      0.2391000    
 C    2.912900     -0.9371000      0.2332000    
 C   -1.866800     -0.2295000      0.5229000    
 C  -0.3537000       1.669300      3.4100000E-02
 C    2.712700      -2.413900      0.4522000    
 C  -0.9933000      -2.434500      0.9448000    
 C   -2.078900      -1.568700      0.8205000    
 C    3.266300       2.079500      0.9399000    
 C    1.088400       3.666900      0.2625000    
 C    1.224200      -4.269900       1.077400    
 C    4.250900     -0.5110000     -0.2319000    
 C    3.374400       3.473500      0.9741000    
 C    2.292700       4.266900      0.6138000    
 C   -4.328600      0.3372000     -8.0000004E-03
 C   -5.384500       1.085600      0.5169000    
 C   -4.588900     -0.6682000     -0.9418000    
 C    5.489300     -0.1412000      -2.189200    
 C   -6.694000      0.8300000      0.1101000    
 C   -5.898400     -0.9238000      -1.348600    
 C   -6.951100     -0.1747000     -0.8227000    
 C   -8.351100     -0.4482000      -1.257600    
 C    5.345800     -0.2113000      -3.694600    
 H   -1.210000      -3.479700       1.146900    
 H   -3.073900      -1.976700      0.9753000    
 H    4.108700       1.533700       1.337500    
 H   0.2334000       4.301600      4.5299999E-02
 H   0.6149000      -4.711000      0.2825000    
 H    2.171300      -4.815400       1.118800    
 H   0.7327000      -4.380700       2.049100    
 H   -2.856300       1.549600      0.7133000    
 H    4.299100       3.936200       1.307400    
 H    2.374000       5.349100      0.6473000    
 H   -5.197800       1.870600       1.245400    
 H   -3.788000      -1.251200      -1.388500    
 H    5.735600      0.8834000      -1.888400    
 H    6.286400     -0.8180000      -1.861600    
 H   -7.505700       1.419100      0.5286000    
 H   -6.085700      -1.706600      -2.078900    
 H   -8.806900      -1.199800     -0.6055000    
 H   -8.960300      0.4615000      -1.223800    
 H   -8.380000     -0.8145000      -2.289400    
 H    6.275500      8.1799999E-02  -4.190300    
 H    5.081600      -1.226200      -4.009600    
 H    4.540100      0.4472000      -4.035700    


%chk=000112996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112996

0 1
O -1.573410 2.624326 0.152866
O 3.683337 -3.110880 0.146408
O 4.741506 -0.462494 -1.226708
O 5.118364 -0.404265 1.073175
N 1.364822 -2.772766 0.323914
N -3.151122 0.621020 0.176074
C 0.447749 -0.486040 0.275716
C 1.808186 0.064580 0.240025
C -0.718053 0.362108 0.233572
C 0.266643 -1.904008 0.337647
C 1.974073 1.541207 0.234758
C 0.812792 2.375815 0.170333
C 2.868398 -0.848251 0.185700
C -2.048939 -0.210214 0.243085
C -0.554922 1.812839 0.174666
C 2.697136 -2.302634 0.213668
C -1.054173 -2.444154 0.425260
C -2.177525 -1.629442 0.379178
C 3.238850 2.195932 0.312572
C 0.930335 3.790481 0.134693
C 1.182289 -4.238192 0.386025
C 4.342326 -0.533927 0.098927
C 3.346563 3.597248 0.280923
C 2.188865 4.407116 0.177686
C -4.518113 0.273749 0.000760
C -5.495990 1.082605 0.639728
C -4.954416 -0.777950 -0.850146
C 6.217054 -0.336562 -1.460961
C -6.868724 0.830463 0.447934
C -6.331795 -1.024385 -1.023612
C -7.316991 -0.235489 -0.375174
C -8.797061 -0.526823 -0.546335
C 6.421870 -0.353941 -2.971277
H -1.193455 -3.521291 0.539689
H -3.170647 -2.072422 0.480692
H 4.157726 1.627020 0.437586
H 0.004919 4.371031 0.082756
H 0.576884 -4.595917 -0.465100
H 2.186556 -4.684599 0.331855
H 0.701731 -4.534034 1.335016
H -2.874022 1.638006 0.206283
H 4.337097 4.060074 0.348054
H 2.275501 5.498186 0.148578
H -5.169439 1.903574 1.287872
H -4.223444 -1.367242 -1.412711
H 6.563850 0.603405 -0.993411
H 6.709634 -1.182844 -0.950245
H -7.605235 1.468834 0.950545
H -6.647037 -1.834461 -1.692644
H -9.155824 -1.238132 0.223266
H -9.403954 0.390748 -0.451229
H -9.011015 -0.976512 -1.531939
H 7.499109 -0.266571 -3.203202
H 6.047427 -1.296416 -3.404984
H 5.892515 0.486392 -3.452005


