%chk=000100095.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100095

0 1
 O   -1.042100       1.887500     -0.7059000    
 O    3.964100      0.9176000       1.343500    
 O    3.489200       2.109900     -0.5279000    
 O  -0.5256000      0.7512000       1.221900    
 O   -2.550600      -2.682400       1.184500    
 N   0.9919000      0.9462000     -0.5228000    
 N   -1.243600      -3.291900     -0.6575000    
 C    2.530800     -0.9638000     -0.8103000    
 C    1.464900      -2.045100      -1.027000    
 C    2.082100      0.2093000      6.2600002E-02
 C   0.9468000      -2.656000      0.2790000    
 C   -2.340600       2.181000     -0.1780000    
 C  -7.6499999E-02  -3.762200      3.6899999E-02
 C    3.221100       1.194600      0.2397000    
 C   -2.171300       2.980400       1.113100    
 C   -3.088000       3.003600      -1.225300    
 C   -3.066600      0.8631000      8.8500001E-02
 C  -0.2207000       1.155900      0.1049000    
 C   -2.365200      -2.798700     -2.0000000E-02
 H    3.418200      -1.428600     -0.3611000    
 H    2.849700     -0.5930000      -1.793600    
 H    1.896300      -2.837100      -1.651500    
 H   0.6335000      -1.615300      -1.597900    
 H    1.788400     -0.1296000       1.061500    
 H    1.788300      -3.067100      0.8487000    
 H   0.4795000      -1.885500      0.9004000    
 H  -0.3838000      -4.192200      0.9967000    
 H   0.3623000      -4.564400     -0.5659000    
 H    1.126700       1.359700      -1.441000    
 H   -1.880800       2.385000       1.982300    
 H   -1.416900       3.766500      0.9923000    
 H   -3.116400       3.462800       1.390300    
 H   -3.167600       2.451100      -2.168600    
 H   -2.544600       3.927900      -1.453100    
 H   -4.097000       3.267900     -0.8928000    
 H   -2.955300      0.1792000     -0.7606000    
 H   -2.728900      0.3293000      0.9800000    
 H   -4.138400       1.040100      0.2380000    
 H   -1.240800      -3.321600      -1.672900    
 H    4.714300       1.541500       1.444900    
 H   -3.128900      -2.500800     -0.7572000    


%chk=000100095-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100095

0 1
O -0.973601 2.039586 -0.661401
O 4.410184 0.578297 0.851038
O 3.568813 2.303988 -0.459007
O -0.608075 0.162539 0.741969
O -2.858383 -4.317770 0.213420
N 1.088786 1.133422 -0.544639
N -1.240404 -2.666551 0.588584
C 2.504167 -0.940663 -0.921450
C 1.365602 -1.986233 -0.944498
C 2.179538 0.302357 -0.025512
C 1.228153 -2.778817 0.378617
C -2.465317 2.172551 -0.351630
C -0.085941 -3.579326 0.481107
C 3.418862 1.187586 0.086150
C -2.650046 2.447401 1.153497
C -2.849119 3.395162 -1.202320
C -3.200259 0.903334 -0.824224
C -0.204649 1.037797 -0.082969
C -2.528675 -3.115928 0.446615
H 3.433808 -1.404077 -0.538918
H 2.709646 -0.578662 -1.947609
H 1.558514 -2.698879 -1.770410
H 0.409757 -1.486244 -1.187701
H 1.900725 -0.050512 0.983724
H 2.079331 -3.480037 0.477412
H 1.285550 -2.092643 1.247052
H -0.057931 -4.250399 1.362770
H -0.228873 -4.231914 -0.401592
H 1.336769 1.928782 -1.140447
H -2.329137 1.584382 1.757615
H -2.069434 3.336100 1.458172
H -3.717264 2.647229 1.359987
H -2.661689 3.200128 -2.272118
H -2.261763 4.278786 -0.899610
H -3.921692 3.621705 -1.068043
H -2.969299 0.691983 -1.883159
H -2.923035 0.028284 -0.215932
H -4.290883 1.058118 -0.735532
H -1.063352 -1.665653 0.769674
H 5.218698 1.158585 0.880989
H -3.280182 -2.297795 0.559131


