%chk=000072441.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072441

0 1
 O    4.624100       2.833100     -0.6050000    
 O    5.793800       1.885000       1.097600    
 N    1.161200      -2.414800     -0.1856000    
 N   -1.231900     -0.3516000     -0.8316000    
 N   -3.225500      -1.778800      0.4514000    
 N   -4.443000      0.1670000      0.7563000    
 N   -3.616600       2.275100     -3.3599999E-02
 N   -1.530700       2.371800      -1.138900    
 N   -5.679100       2.137800       1.066400    
 C   8.2800001E-02  -2.359600      -1.176300    
 C    2.071100      -1.369700     -6.8599999E-02
 C   -1.133500      -1.678500     -0.6574000    
 C    1.235100      -3.586100      0.6721000    
 C    3.096800      -1.416000      0.8901000    
 C    1.984200     -0.2461000     -0.9073000    
 C   -2.338500      0.2515000     -0.3565000    
 C   -2.119300      -2.383500     -2.3000000E-02
 C   -3.352500     -0.4559000      0.2929000    
 C    4.010000     -0.3681000       1.006700    
 C    2.897400      0.8017000     -0.7906000    
 C    3.910400      0.7407000      0.1663000    
 C   -2.536000       1.613000     -0.4850000    
 C   -4.522200       1.498100      0.5713000    
 C    4.861800       1.833800      0.2883000    
 H   0.4022000      -1.926500      -2.131300    
 H  -0.1896000      -3.384500      -1.466600    
 H    2.188600      -4.109500      0.5404000    
 H   0.4450000      -4.309800      0.4429000    
 H    1.112500      -3.309600       1.725100    
 H    3.215700      -2.257200       1.567000    
 H    1.232000     -0.1312000      -1.678700    
 H   -2.069700      -3.454200      0.1333000    
 H    4.792100     -0.4341000       1.758700    
 H    2.784800       1.645700      -1.465500    
 H   -1.693000       3.366500      -1.234800    
 H  -0.9505000       1.907600      -1.826800    
 H   -5.782900       3.136500      0.9510000    
 H   -6.389900       1.589700       1.530900    
 H    5.271300       3.564800     -0.5148000    


%chk=000072441-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072441

0 1
O 4.944613 2.852198 -0.610056
O 6.140431 1.717620 1.027674
N 1.179256 -2.372374 -0.189297
N -1.350947 -0.334573 -0.895760
N -3.342936 -1.867524 0.500151
N -4.644078 0.100554 0.792561
N -3.830711 2.266402 -0.095506
N -1.768068 2.409367 -1.220404
N -5.864700 2.074083 1.025267
C 0.083103 -2.337105 -1.184185
C 2.112901 -1.338145 -0.075643
C -1.190396 -1.666684 -0.684212
C 1.232324 -3.517426 0.734480
C 3.203198 -1.445008 0.851470
C 2.032134 -0.149467 -0.875456
C -2.489164 0.240287 -0.398723
C -2.207936 -2.406129 0.010175
C -3.510030 -0.498413 0.309080
C 4.171492 -0.436790 0.941964
C 3.011533 0.847782 -0.779399
C 4.100487 0.723301 0.125263
C -2.714476 1.673359 -0.570690
C -4.739881 1.442817 0.560817
C 5.146167 1.751637 0.255644
H 0.428434 -1.819704 -2.095117
H -0.143845 -3.380604 -1.469652
H 2.184111 -4.075545 0.634989
H 0.408637 -4.210771 0.502883
H 1.123305 -3.202083 1.790565
H 3.295617 -2.322271 1.496428
H 1.179379 0.005004 -1.540369
H -2.087517 -3.487158 0.158855
H 5.004970 -0.529189 1.646617
H 2.941282 1.746630 -1.399150
H -1.896147 3.412187 -1.335169
H -0.925967 1.934713 -1.545744
H -5.972496 3.073872 0.876983
H -6.565937 1.525941 1.517214
H 5.690360 3.493307 -0.463750


