%chk=000096815.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096815

0 1
 O   -2.960100       3.168400       1.429900    
 O   -4.300800       3.352100     -0.3917000    
 O   0.6660000       2.284000      -1.303600    
 O    1.791600     -0.7638000       1.111200    
 N   -1.021900       2.115100      0.2861000    
 N   -3.917200      -2.337400      0.4058000    
 N    2.464700       1.398100      0.6045000    
 N   -4.388200      -4.042200      -1.219500    
 N   -4.736500      -4.422200       1.000700    
 C   -2.613200      0.8791000      -1.145100    
 C   -2.145600       2.234600     -0.6079000    
 C   -3.078300     -0.1008000     -6.1299998E-02
 C   -3.487400      -1.439100     -0.6672000    
 C   -3.250300       2.981500      0.1157000    
 C   0.3011000       2.149900     -0.1383000    
 C    1.264000       2.057000       1.026100    
 C    2.635700      1.8400000E-02  0.6817000    
 C    3.949200     -0.5078000      0.2289000    
 C   -4.316600      -3.519200      5.2499998E-02
 C    4.439900      -1.703500      0.7537000    
 C    4.691400      0.1934000     -0.7215000    
 C    5.673000      -2.197800      0.3283000    
 C    5.924400     -0.3011000      -1.146900    
 C    6.415100      -1.496700     -0.6220000    
 H   -1.793200      0.4193000      -1.711600    
 H   -3.436200       1.039600      -1.853200    
 H   -1.835800       2.868300      -1.447600    
 H   -2.276500     -0.2670000      0.6683000    
 H   -3.925700      0.3210000      0.4924000    
 H   -1.215200       1.988300       1.275700    
 H   -2.633000      -1.870200      -1.203100    
 H   -4.305400      -1.276700      -1.379400    
 H   0.8215000       1.510400       1.864700    
 H    1.519800       3.069600       1.352200    
 H    3.223100       1.993500      0.2897000    
 H   -3.682700       3.635700       1.900800    
 H    3.878700      -2.262300       1.497900    
 H    4.332100       1.110500      -1.178500    
 H    6.055700      -3.128300      0.7373000    
 H    6.499400      0.2405000      -1.892300    
 H    7.374400      -1.882400     -0.9545000    
 H   -4.719300      -4.987800      -1.377800    
 H   -4.115200      -3.511400      -2.038900    
 H   -5.053300      -5.351000      0.7451000    
 H   -4.741900      -4.182300       1.986100    


%chk=000096815-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096815

0 1
O -2.998793 2.888793 1.547224
O -4.056423 3.410411 -0.456507
O 0.586541 1.228414 -1.203652
O 3.570330 0.255980 2.545213
N -0.997544 1.619269 0.452930
N -4.629038 -2.333255 0.136447
N 2.534996 0.601263 0.511221
N -5.726183 -3.690706 -1.559799
N -6.179999 -3.997587 0.722937
C -2.719208 0.729782 -1.178232
C -2.056597 1.974351 -0.504837
C -3.427528 -0.216316 -0.189734
C -4.007911 -1.465474 -0.882718
C -3.130848 2.835962 0.148449
C 0.260465 1.275554 0.027670
C 1.269983 0.952964 1.141384
C 3.633253 0.259572 1.269847
C 4.900090 -0.102498 0.534005
C -5.450998 -3.284509 -0.243018
C 6.052964 -0.347347 1.323174
C 4.993449 -0.215740 -0.878617
C 7.277951 -0.692336 0.716398
C 6.220209 -0.562188 -1.486179
C 7.366013 -0.799784 -0.691721
H -1.913382 0.197378 -1.717359
H -3.433525 1.105529 -1.936237
H -1.597626 2.573799 -1.314852
H -2.725071 -0.559410 0.593065
H -4.256784 0.301677 0.330452
H -1.220493 1.676925 1.449610
H -3.177052 -1.993232 -1.408465
H -4.730826 -1.139523 -1.672259
H 0.901704 0.120634 1.774179
H 1.394834 1.822570 1.817899
H 2.530428 0.649191 -0.513419
H -3.737692 3.428386 1.937128
H 5.953109 -0.260988 2.410188
H 4.122140 -0.049339 -1.522979
H 8.161644 -0.877643 1.336919
H 6.281357 -0.648847 -2.576615
H 8.316655 -1.068144 -1.166091
H -6.605957 -4.150665 -1.783373
H -5.181150 -3.304493 -2.324931
H -6.361551 -4.990068 0.578116
H -6.034633 -3.681013 1.680542


