%chk=000099804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099804

0 1
 O   0.4825000      -1.811400     -0.8058000    
 O    1.731300       2.626500     -0.3785000    
 O   -5.727100      -1.293600      6.7100003E-02
 N   0.7749000      0.5070000     -0.6562000    
 N   -3.536400      0.5221000      0.1382000    
 C    2.688600     -0.8266000     -0.8109000    
 C    3.106900      0.6621000     -0.6682000    
 C    3.339800      -1.486300      0.4256000    
 C    3.943500      0.6605000      0.6311000    
 C    3.216800     -0.3852000       1.487200    
 C    4.838000      -1.420400      0.2226000    
 C    5.200000     -0.1331000      0.3457000    
 C    1.182300     -0.8087000     -0.7681000    
 C    1.808000       1.418300     -0.5540000    
 C  -0.6213000      0.8984000     -0.6468000    
 C   -1.187700       1.014000      0.7670000    
 C   -2.651800       1.459000      0.8277000    
 C   -3.443800     -0.8178000      0.7343000    
 C   -4.927400      0.9946000      0.1749000    
 C   -4.383900      -1.774300      6.2000002E-03
 C   -5.833100     -4.9000001E-03 -0.5391000    
 H    3.022900      -1.260300      -1.759800    
 H    3.663500       1.020000      -1.541400    
 H    2.948900      -2.457500      0.7311000    
 H    4.096400       1.622500       1.121600    
 H    2.184000     -0.1182000       1.732000    
 H    3.741300     -0.6222000       2.422600    
 H    5.483200      -2.246500     -3.0099999E-02
 H    6.190800      0.2700000      0.2104000    
 H   -1.186400      0.1590000      -1.224500    
 H  -0.7103000       1.865400      -1.155600    
 H  -0.5985000       1.768800       1.306600    
 H   -1.015000      8.9400001E-02   1.329200    
 H   -2.729700       2.448300      0.3593000    
 H   -2.944400       1.578500       1.879000    
 H   -3.708100     -0.7833000       1.799100    
 H   -2.440900      -1.243300      0.6408000    
 H   -5.012100       1.968000     -0.3212000    
 H   -5.262300       1.111600       1.213900    
 H   -4.090900      -1.910700      -1.042100    
 H   -4.361200      -2.757700      0.4867000    
 H   -6.876900      0.3152000     -0.4598000    
 H   -5.589900     -8.1100002E-02  -1.605900    


%chk=000099804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099804

0 1
O 0.169551 -1.694271 -0.311428
O 1.796612 2.665798 -0.866764
O -5.642872 -1.387221 -0.347731
N 0.700599 0.590681 -0.579800
N -3.496434 0.479614 0.268750
C 2.533450 -0.940983 -0.658332
C 3.075195 0.512996 -0.846960
C 3.262731 -1.427319 0.666790
C 4.053038 0.698699 0.391046
C 3.280489 -0.099551 1.490171
C 4.748680 -1.533773 0.291235
C 5.221000 -0.263246 0.127746
C 1.019130 -0.785046 -0.496590
C 1.839427 1.414625 -0.777966
C -0.674107 1.105422 -0.446933
C -1.162883 1.094132 1.019403
C -2.676769 1.380120 1.116517
C -3.404794 -0.954002 0.660186
C -4.916663 0.914042 0.225111
C -4.233363 -1.814360 -0.307219
C -5.712616 0.027339 -0.745393
H 2.742402 -1.622325 -1.498579
H 3.602711 0.688440 -1.798116
H 2.797696 -2.311718 1.124497
H 4.304469 1.748447 0.597181
H 2.277791 0.303659 1.720987
H 3.860518 -0.194555 2.421866
H 5.278301 -2.471994 0.107360
H 6.212919 0.041545 -0.215464
H -1.348461 0.478404 -1.054785
H -0.675380 2.131267 -0.855340
H -0.620777 1.859569 1.606424
H -0.931437 0.112328 1.471043
H -2.874519 2.417366 0.780424
H -2.981322 1.323907 2.193823
H -3.773627 -1.109573 1.705891
H -2.352951 -1.288394 0.606477
H -4.960349 1.966477 -0.115873
H -5.392607 0.860129 1.237672
H -3.793535 -1.749050 -1.325902
H -4.252776 -2.867061 0.018822
H -6.784440 0.286705 -0.733804
H -5.309527 0.148830 -1.774543


