%chk=000149943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149943

0 1
 O   0.6502000       3.091700      -1.401100    
 O   0.4031000       3.195400      0.7777000    
 N  -0.7237000      0.6526000     -0.3033000    
 N    2.575100      -1.896300      0.1594000    
 N   -4.338200      0.3361000      0.1494000    
 N   0.9506000       2.722400     -0.2435000    
 C   0.1987000      -1.558800     -0.1273000    
 C   -1.200000      -2.104900     -0.2117000    
 C   -1.243000      -3.602800     -0.5117000    
 C  -0.2454000      -4.352500      0.3635000    
 C    1.176300      -3.878500      7.0500001E-02
 C    1.310500      -2.378500      5.0500002E-02
 C   0.4168000     -0.1814000     -0.1613000    
 C    1.711200      0.3396000     -4.4100001E-02
 C    2.775700     -0.5666000      0.1161000    
 C   -1.462300       1.138700      0.8141000    
 C   -2.582300       2.072700      0.3569000    
 C    1.955800       1.723100     -8.2000002E-02
 C   -3.636700       1.413600     -0.5378000    
 C    4.063900     -5.1300000E-02  0.2316000    
 C    3.253300       2.212600      3.6400001E-02
 C    4.309000       1.323500      0.1930000    
 C   -5.024600     -0.5281000     -0.8125000    
 C   -5.294100      0.8777000       1.117200    
 H   -1.700200      -1.930800      0.7483000    
 H   -1.772900      -1.592600     -0.9930000    
 H   -2.256600      -3.983700     -0.3437000    
 H   -1.005300      -3.777900      -1.568800    
 H  -0.3192000      -5.430700      0.1828000    
 H  -0.4857000      -4.185200       1.421100    
 H    1.491100      -4.256600     -0.9101000    
 H    1.859000      -4.299200      0.8178000    
 H  -0.7441000       1.193000      -1.162900    
 H   -1.922400      0.2897000       1.333800    
 H  -0.8475000       1.597600       1.589700    
 H   -2.148500       2.910000     -0.2044000    
 H   -3.050200       2.524600       1.238400    
 H   -3.127400       1.025000      -1.429100    
 H   -4.338300       2.175800     -0.9022000    
 H    4.907800     -0.7275000      0.3560000    
 H    3.461400       3.279600      8.1000002E-03
 H    5.325200       1.695300      0.2860000    
 H   -4.307300     -0.9820000      -1.505300    
 H   -5.773000      1.8500000E-02  -1.397700    
 H   -5.525100      -1.355800     -0.2976000    
 H   -4.793000       1.431700       1.916600    
 H   -5.833600      6.2600002E-02   1.613700    
 H   -6.035000       1.535000      0.6474000    


%chk=000149943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149943

0 1
O 0.218039 2.836838 -1.335679
O 1.565396 4.097614 0.003192
N -0.725182 0.841810 0.251822
N 2.544102 -1.904377 0.055075
N -4.332631 0.313791 -0.297794
N 1.246774 2.968689 -0.536745
C 0.136856 -1.464984 0.240942
C -1.265106 -2.055576 0.316214
C -1.324200 -3.534709 -0.122232
C -0.276554 -4.352045 0.659453
C 1.137585 -3.855166 0.300457
C 1.271263 -2.339297 0.208392
C 0.333529 -0.050687 0.117965
C 1.690224 0.438867 -0.155745
C 2.756005 -0.553638 -0.129596
C -1.787465 0.847206 1.279314
C -2.831084 1.932104 0.943240
C 2.136291 1.805752 -0.322778
C -3.633872 1.623085 -0.341069
C 4.130152 -0.167886 -0.255006
C 3.495585 2.165283 -0.390809
C 4.503648 1.171149 -0.366630
C -4.775775 -0.117559 -1.641564
C -5.444294 0.281071 0.675709
H -1.646278 -2.003178 1.358464
H -1.958086 -1.438492 -0.287385
H -2.344024 -3.924941 0.055359
H -1.126614 -3.620464 -1.209623
H -0.362029 -5.431796 0.435742
H -0.461149 -4.232246 1.745980
H 1.441142 -4.267090 -0.683225
H 1.894572 -4.218131 1.019749
H -0.645815 1.710664 -0.289710
H -2.311697 -0.118440 1.335073
H -1.341811 1.052861 2.276633
H -2.334353 2.915111 0.815346
H -3.510247 2.039415 1.809664
H -2.937051 1.597701 -1.199754
H -4.350024 2.464541 -0.529341
H 4.863141 -0.979645 -0.238451
H 3.750504 3.223050 -0.496539
H 5.555703 1.459376 -0.449365
H -3.908582 -0.156783 -2.324082
H -5.541807 0.561848 -2.093979
H -5.213284 -1.130555 -1.582748
H -5.074146 0.490505 1.694000
H -5.897124 -0.726383 0.684450
H -6.251130 1.022136 0.442514


