%chk=000157816.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157816

0 1
 O    3.564200     -0.4788000      -1.093500    
 O    4.080300       2.459200      8.7700002E-02
 O    5.756800      0.7970000       1.450900    
 O    5.644700      -2.281500      -1.679900    
 N    1.454200     -5.2000000E-03 -0.1146000    
 N   7.8999996E-03  -1.486900      0.7116000    
 N  -6.1400000E-02   1.829300     -0.6025000    
 N   -2.956700     -0.8518000      0.9413000    
 N   -2.358900       1.264000     -3.7000000E-03
 C    3.513100       1.244700      0.5758000    
 C    2.729900      0.5663000     -0.5494000    
 C    4.590300      0.2261000      0.8981000    
 C    4.850600     -0.4081000     -0.4572000    
 C    5.457600      -1.796800     -0.3690000    
 C   0.2294000      0.5978000     -0.1571000    
 C    1.269500      -1.255300      0.4140000    
 C  -0.6533000     -0.3370000      0.3599000    
 C   -2.007900      1.9400001E-02  0.4373000    
 C   -4.365500     -0.5306000       1.041700    
 C   -1.384900       2.073400     -0.4856000    
 C   -4.990600     -0.7564000     -0.3086000    
 C   -5.013400      -1.419300       2.098200    
 C   -6.029100     -0.1015000     -0.8632000    
 C   -6.609700     -0.3752000      -2.221800    
 C   -6.717300       1.007200     -0.1105000    
 H    2.911000       1.500500       1.453700    
 H    2.502300       1.255000      -1.371200    
 H    4.193200     -0.5215000       1.595800    
 H    5.490500      0.2297000      -1.080900    
 H    4.796900      -2.493600      0.1570000    
 H    6.426200      -1.776200      0.1388000    
 H    3.343800       3.053000     -0.1377000    
 H    5.493600       1.276500       2.254800    
 H    2.082200      -1.952600      0.5650000    
 H    4.775900      -2.296800      -2.116900    
 H   -2.646000      -1.778700       1.211900    
 H   -4.467600      0.5094000       1.369300    
 H   -1.714000       3.050300     -0.8232000    
 H   -4.557500      -1.565900     -0.8977000    
 H   -4.531400      -1.276000       3.072000    
 H   -4.924200      -2.481900       1.843000    
 H   -6.078000      -1.188700       2.213100    
 H   -6.553500      0.5209000      -2.848100    
 H   -7.657800     -0.6792000      -2.136500    
 H   -6.069200      -1.176900      -2.735700    
 H   -6.492200       1.971300     -0.5787000    
 H   -7.802800      0.8597000     -0.1424000    
 H   -6.451100       1.073900      0.9462000    


%chk=000157816-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157816

0 1
O 3.729879 -0.968030 -0.815993
O 2.629688 2.374942 0.250001
O 4.960019 2.043242 -0.982060
O 5.776786 -2.620835 0.177349
N 1.410006 -0.565518 -0.455104
N -0.282752 -2.112546 -0.384031
N 0.152858 1.429548 0.368774
N -3.084627 -1.287443 0.593788
N -2.188553 0.903973 0.863795
C 3.175965 1.046504 0.366679
C 2.706097 0.069612 -0.750399
C 4.700993 1.091049 0.093385
C 5.044086 -0.330918 -0.394257
C 5.646861 -1.251530 0.673128
C 0.279382 0.109519 0.010518
C 1.012432 -1.894699 -0.685233
C -0.751804 -0.859671 0.049165
C -2.037178 -0.423611 0.503921
C -4.467876 -0.916063 1.005903
C -1.115220 1.735656 0.782384
C -5.389862 -0.806619 -0.201846
C -4.989406 -1.966010 2.012752
C -5.880726 0.338263 -0.758104
C -6.828157 0.274389 -1.945428
C -5.558785 1.741665 -0.271318
H 2.970733 0.582776 1.354839
H 2.639904 0.613005 -1.715537
H 5.267319 1.368721 1.004873
H 5.684090 -0.285835 -1.291654
H 5.029191 -1.219397 1.597557
H 6.672668 -0.925717 0.915702
H 1.599783 2.271863 0.326114
H 4.288260 2.773316 -0.858139
H 1.710267 -2.637747 -1.059134
H 4.895738 -2.885243 -0.194937
H -2.908332 -2.247525 0.282629
H -4.373885 0.060656 1.505614
H -1.286346 2.773306 1.082455
H -5.689772 -1.771301 -0.642072
H -4.324531 -2.035282 2.891711
H -5.058720 -2.968274 1.546883
H -6.000923 -1.687186 2.355078
H -6.386111 0.777413 -2.828162
H -7.775361 0.804471 -1.722480
H -7.073014 -0.764301 -2.227069
H -5.363062 2.405761 -1.135237
H -6.423366 2.176123 0.269766
H -4.674534 1.777729 0.384927


