%chk=000112184.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112184

0 1
 O   -2.213800       3.524500      -1.913500    
 O   -2.864900       1.051200     -0.7801000    
 O    6.412000      -1.977600     -0.1996000    
 N  -4.1700002E-02   2.406300      0.8672000    
 N   -2.293800      -3.549600     -0.3987000    
 C    1.345400       1.910600      0.9036000    
 C    1.417100      0.6379000      1.8999999E-02
 C  -0.4382000       2.694600     -0.4982000    
 C    2.242900       3.038300      0.3763000    
 C    1.684500       1.619700       2.371900    
 C   -1.870700       3.224600     -0.5601000    
 C    2.755000     -6.2899999E-02 -3.9799999E-02
 C   -2.900100       2.245300     -4.4000000E-03
 C    3.668000      0.3010000      -1.015700    
 C    3.041500      -1.054700      0.8834000    
 C   -3.176100     -0.1135000     -0.1310000    
 C    4.902700     -0.3460000      -1.070000    
 C    4.276100      -1.701800      0.8291000    
 C   -2.615800      -1.345500     -0.5230000    
 C    5.206600      -1.347500     -0.1478000    
 C   -2.971700      -2.499500      0.1784000    
 C   -4.069500     -8.1900001E-02  0.9461000    
 C   -1.701700      -1.740100      -1.539800    
 C   -3.863500      -2.483100       1.256600    
 C   -4.406600      -1.249600       1.627600    
 C   -1.523700      -3.100600      -1.437900    
 H   0.6594000     -8.7899998E-02  0.3489000    
 H    1.182300      0.8434000      -1.030400    
 H  -0.1309000       3.246000       1.438900    
 H  -0.4293000       1.824000      -1.157500    
 H   0.1856000       3.457300     -0.9754000    
 H    3.291400       2.842600      0.6333000    
 H    1.994400       4.007100      0.8268000    
 H    2.214700       3.145700     -0.7128000    
 H    2.732800       1.328500       2.495900    
 H    1.526900       2.504800       3.000500    
 H    1.059200      0.8141000       2.774000    
 H   -1.932300       4.165600      6.9999998E-04
 H   -2.680200       2.067500       1.055400    
 H   -3.904200       2.676400     -9.4999999E-02
 H    3.442800       1.077700      -1.740600    
 H    2.323000      -1.340400       1.646200    
 H   -3.111700       3.897800      -1.913800    
 H    5.619100     -6.0600001E-02  -1.835700    
 H    4.507000      -2.481200       1.550100    
 H   -4.554900      0.8360000       1.266200    
 H   -1.223200      -1.098400      -2.267000    
 H   -4.127900      -3.391900       1.786800    
 H   -2.355900      -4.512400     -9.7800002E-02
 H   -5.108600      -1.204000       2.456400    
 H  -0.9176000      -3.787800      -2.010900    
 H    6.929600      -1.607200     -0.9352000    


%chk=000112184-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112184

0 1
O -2.826751 3.378927 -1.401215
O -2.551534 0.796610 -0.456767
O 6.426506 -2.131348 0.849497
N 0.241741 3.015152 0.761017
N -3.296176 -3.565171 -1.931190
C 1.632399 2.445358 0.754730
C 1.492274 0.879287 0.711752
C -0.543674 2.999037 -0.493235
C 2.482698 2.970551 -0.436162
C 2.284397 2.886756 2.085588
C -2.055371 3.119607 -0.176714
C 2.791807 0.088596 0.725903
C -2.596171 1.881436 0.547695
C 3.449189 -0.271132 -0.478616
C 3.384459 -0.332453 1.947733
C -3.015627 -0.474571 -0.079867
C 4.656781 -1.003322 -0.473600
C 4.588601 -1.064280 1.975788
C -2.979294 -1.472515 -1.093935
C 5.227742 -1.396535 0.760132
C -3.438285 -2.794541 -0.770607
C -3.494620 -0.805550 1.203838
C -2.560104 -1.478785 -2.477647
C -3.923045 -3.146977 0.512357
C -3.940736 -2.131434 1.485312
C -2.766511 -2.770525 -2.959707
H 0.865032 0.602348 1.579739
H 0.914102 0.609666 -0.192908
H 0.251558 3.959580 1.173264
H -0.375081 2.042198 -1.018632
H -0.287003 3.816099 -1.203383
H 3.505381 2.555410 -0.407051
H 2.556555 4.074087 -0.397071
H 2.031610 2.693019 -1.406773
H 3.300311 2.469984 2.185529
H 2.366027 3.990758 2.131488
H 1.676727 2.548694 2.944758
H -2.227743 4.006112 0.462195
H -1.948249 1.636707 1.410437
H -3.643882 2.036859 0.870389
H 3.006518 0.019240 -1.439053
H 2.887181 -0.091965 2.895076
H -2.947653 2.502114 -1.853018
H 5.142009 -1.271948 -1.421528
H 5.038846 -1.390674 2.918017
H -3.528951 -0.056286 1.999333
H -2.157745 -0.639968 -3.040415
H -4.268814 -4.159418 0.744639
H -3.539045 -4.549734 -2.011996
H -4.306583 -2.357876 2.492887
H -2.578710 -3.184028 -3.948821
H 6.788405 -2.320355 -0.051582


