%chk=000100672.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100672

0 1
 O   -1.847600     -0.6373000       1.757600    
 O   -6.230400      -1.397500      0.2649000    
 N   -1.890200       1.763700     -2.5900001E-02
 N    1.785900       1.207200      0.2833000    
 N   -5.094800      0.4559000     -0.5649000    
 N   -4.043700      -1.038800       1.024800    
 N   -3.656200       2.326100      -1.265200    
 C  -0.5639000       1.839400      0.5382000    
 C    2.773700      0.4835000     -0.5049000    
 C   0.4585000       1.084400     -0.3062000    
 C   -2.846000      0.8203000      0.2206000    
 C   -3.915300       1.187800     -0.5500000    
 C    2.456300      -1.000700     -0.6117000    
 C    4.194400      0.7252000     -1.6799999E-02
 C   -2.817700     -0.3234000       1.073400    
 C   -2.424900       2.648600     -0.9264000    
 C   -5.205400     -0.7069000      0.2379000    
 C   -6.207000      0.8876000      -1.402400    
 C    2.852100      -1.688400      -1.741000    
 C    5.230900      0.6724000     -0.9265000    
 C    1.781500      -1.615100      0.4235000    
 C    4.404500      0.9896000       1.321400    
 C   -4.137300      -2.233400       1.857300    
 C    2.560700      -3.049000      -1.839200    
 C    6.533400      0.8935000     -0.4790000    
 C    1.490100      -2.975700      0.3255000    
 C    5.707000       1.210800       1.769000    
 C    1.879700      -3.692600     -0.8060000    
 C    6.771400       1.162700      0.8687000    
 H  -0.3005000       2.903200      0.5993000    
 H  -0.5979000       1.467200       1.567000    
 H    2.721200      0.9101000      -1.518900    
 H   0.1068000      5.4299999E-02 -0.4083000    
 H   0.4634000       1.510300      -1.318800    
 H    2.036300       2.195400      0.3280000    
 H   -1.873800       3.501900      -1.298000    
 H   -7.063600      0.2153000      -1.310100    
 H   -5.880800      0.9023000      -2.447000    
 H   -6.512900       1.893000      -1.097000    
 H    3.373200      -1.198400      -2.557300    
 H    5.060100      0.4738000      -1.979800    
 H    1.491100      -1.096000       1.331800    
 H    3.600200       1.015100       2.049800    
 H   -3.222400      -2.431100       2.420300    
 H   -4.357600      -3.091300       1.214000    
 H   -4.971000      -2.107400       2.555400    
 H    2.862100      -3.606800      -2.721000    
 H    7.362100      0.8581000      -1.180200    
 H   0.9657000      -3.478600       1.132700    
 H    5.893200       1.416200       2.819100    
 H    1.653700      -4.752200     -0.8819000    
 H    7.785600       1.334400       1.217300    


%chk=000100672-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100672

0 1
O -1.722430 -0.782775 1.487624
O -6.193651 -1.417455 0.124938
N -1.909500 1.966345 0.008319
N 1.790523 1.206063 0.011093
N -5.155943 0.590123 -0.508464
N -3.967610 -1.076758 0.778527
N -3.838803 2.619973 -1.040149
C -0.503708 1.959053 0.460809
C 2.768280 0.335794 -0.693757
C 0.430682 1.255532 -0.551126
C -2.837378 0.923814 0.173015
C -4.004545 1.361441 -0.476229
C 2.436041 -1.158440 -0.523258
C 4.173141 0.669141 -0.172030
C -2.738227 -0.335440 0.866025
C -2.555735 2.946225 -0.726353
C -5.171843 -0.674162 0.126302
C -6.365696 1.079426 -1.198530
C 2.980096 -2.090262 -1.442663
C 5.158502 1.192994 -1.043041
C 1.628942 -1.632841 0.538547
C 4.496292 0.470261 1.194887
C -4.021004 -2.404113 1.434106
C 2.735802 -3.473145 -1.297701
C 6.450233 1.511089 -0.562193
C 1.373578 -3.015836 0.679141
C 5.782466 0.792609 1.678223
C 1.929449 -3.941609 -0.232935
C 6.765039 1.311998 0.800987
H -0.192042 3.008705 0.617832
H -0.445696 1.422055 1.420542
H 2.772213 0.544060 -1.793368
H 0.077438 0.219790 -0.696966
H 0.370789 1.771695 -1.541092
H 2.188186 2.138954 0.179906
H -2.074105 3.879855 -1.007501
H -7.147628 0.315471 -1.080721
H -6.150762 1.243904 -2.267639
H -6.692648 2.034243 -0.754270
H 3.607188 -1.731669 -2.269361
H 4.915226 1.352190 -2.101376
H 1.188148 -0.915743 1.238538
H 3.738181 0.056719 1.868510
H -3.032114 -2.590322 1.877383
H -4.267258 -3.180591 0.691916
H -4.801401 -2.410907 2.212509
H 3.167683 -4.182784 -2.012795
H 7.205513 1.912824 -1.247112
H 0.733491 -3.363818 1.497352
H 6.023630 0.632795 2.735339
H 1.731764 -5.013935 -0.122021
H 7.765111 1.556162 1.176679


