%chk=000090654.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090654

0 1
 O    5.302200       1.024300     -0.1066000    
 N   -1.743100     -7.6099999E-02  -1.718500    
 C   0.8904000      -1.234100     -0.5109000    
 C  -0.4482000     -0.9793000      0.1853000    
 C  -0.9158000      0.2895000     -0.5717000    
 C   0.5104000      -1.412000      -2.060600    
 C    1.496600      -2.540800      5.5300001E-02
 C  -0.3739000     -0.9595000       1.723400    
 C    1.766300      5.4000001E-02 -0.2285000    
 C  -0.3883000       1.533200      0.1299000    
 C   -1.058500      -1.246400      -2.390800    
 C    1.584200      -2.553700       1.585500    
 C   0.2329000      -2.265600       2.237400    
 C    1.160100       1.325000      0.1443000    
 C   -3.125300     -0.3534000      -1.365500    
 C    3.162300     -7.1999999E-03 -0.3268000    
 C    1.967800       2.423200      0.4583000    
 C    3.944700       1.109200     -1.8600000E-02
 C    3.354100       2.309000      0.3815000    
 C   -3.768600      0.8289000     -0.7023000    
 C   -4.305200      0.9054000      0.5308000    
 C   -4.936600       2.127200       1.135800    
 C   -4.308300     -0.3008000       1.433500    
 H   -1.127400      -1.820600     -1.1800000E-02
 H  -0.2072000      0.5575000      -1.369100    
 H   0.8165000      -2.404600      -2.413100    
 H    1.071000     -0.6877000      -2.666400    
 H    2.484800      -2.742100     -0.3714000    
 H   0.8653000      -3.387500     -0.2488000    
 H   -1.378800     -0.8340000       2.140500    
 H   0.2282000     -0.1357000       2.116700    
 H  -0.7873000       1.655200       1.141000    
 H  -0.6326000       2.436800     -0.4431000    
 H   -1.175100      -1.135300      -3.474800    
 H   -1.549300      -2.189800      -2.117200    
 H    2.320100      -1.816900       1.927300    
 H    1.945200      -3.533600       1.918800    
 H  -0.4553000      -3.094400       2.030300    
 H   0.3504000      -2.215200       3.325700    
 H   -3.685800     -0.5369000      -2.291600    
 H   -3.218200      -1.275300     -0.7882000    
 H    3.659400     -0.9213000     -0.6376000    
 H    1.522500       3.372900      0.7411000    
 H    3.968500       3.173100      0.6216000    
 H   -3.801200       1.731600      -1.312600    
 H    5.689100       1.881700      0.1408000    
 H   -4.392900       2.433800       2.035100    
 H   -4.929400       2.970300      0.4371000    
 H   -5.978000       1.925000       1.405900    
 H   -3.638300      -1.107800       1.138000    
 H   -3.993000     -7.3000002E-03   2.441600    
 H   -5.322100     -0.7086000       1.504700    


%chk=000090654-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090654

0 1
O 5.389080 0.968037 -0.118141
N -1.789824 -0.064132 -1.663887
C 0.955043 -1.255511 -0.561827
C -0.373594 -1.010089 0.179816
C -0.773419 0.273835 -0.635054
C 0.477994 -1.393864 -2.106571
C 1.655451 -2.545658 -0.059286
C -0.256784 -1.024856 1.718507
C 1.785694 0.061193 -0.242724
C -0.392178 1.513485 0.180834
C -1.092148 -1.249555 -2.374323
C 1.768849 -2.579943 1.486582
C 0.392149 -2.362764 2.165618
C 1.161904 1.299831 0.219370
C -3.162677 -0.413898 -1.210412
C 3.193548 0.021463 -0.333960
C 1.992512 2.381546 0.580522
C 3.994959 1.129109 0.022652
C 3.402058 2.317087 0.499138
C -3.870099 0.806306 -0.662067
C -4.502217 0.946113 0.538754
C -5.178793 2.257222 0.909052
C -4.612422 -0.140238 1.595652
H -1.074181 -1.833010 -0.066249
H 0.025953 0.421151 -1.373671
H 0.756237 -2.403126 -2.472248
H 1.032102 -0.674913 -2.739108
H 2.650105 -2.686742 -0.525514
H 1.036170 -3.406323 -0.389072
H -1.260391 -0.913028 2.175674
H 0.363152 -0.189571 2.091928
H -0.837198 1.571053 1.190819
H -0.617122 2.458628 -0.348753
H -1.249136 -1.150304 -3.466019
H -1.578016 -2.201592 -2.062502
H 2.470308 -1.792173 1.824258
H 2.198634 -3.549568 1.805578
H -0.280992 -3.206246 1.902733
H 0.508799 -2.378473 3.266890
H -3.711966 -0.780309 -2.102926
H -3.166924 -1.254076 -0.471954
H 3.707033 -0.882443 -0.674802
H 1.523140 3.313526 0.918577
H 4.016397 3.180610 0.785563
H -3.845250 1.669933 -1.342997
H 5.864046 1.791322 0.156134
H -4.744615 2.680014 1.837404
H -5.079188 3.010243 0.108244
H -6.259292 2.106798 1.106630
H -4.010522 -1.033029 1.359889
H -4.287581 0.245335 2.582399
H -5.665492 -0.465107 1.715550


