%chk=000045130.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045130

0 1
 O  -0.1425000      -1.224000      -1.151800    
 O    1.154900      -2.285800      0.4257000    
 N   -3.401800     -0.4889000     -0.2231000    
 C   -3.779300      0.8647000      0.2269000    
 C   -4.163400      0.8259000       1.718500    
 C   -4.453400      -1.489000     -7.7999998E-03
 C   -5.250800     -0.2024000       2.015400    
 C   -4.854200      -1.566700       1.465500    
 C   -2.920400     -0.5218000      -1.601200    
 C   -4.874300       1.550000     -0.6054000    
 C   -2.313600      -1.885000      -1.917700    
 C   -1.152800      -2.209500     -0.9871000    
 C    1.995800     -0.2865000     -0.7021000    
 C   0.9798000      -1.376700     -0.3759000    
 C    3.335900     -0.4953000     -8.1000002E-03
 C    1.466300       1.127800     -0.5054000    
 C    3.532100      5.8300000E-02   1.240000    
 C    1.965000       2.141700      -1.296800    
 C    4.310100      -1.231400     -0.6493000    
 C   0.5041000       1.350800      0.4576000    
 C    4.758900     -0.1330000       1.875700    
 C    1.479900       3.437100      -1.116900    
 C    5.536900      -1.422600     -1.3400000E-02
 C   1.8900000E-02   2.646300      0.6373000    
 C    5.761100     -0.8734000       1.249200    
 C   0.5068000       3.689300     -0.1499000    
 H   -2.886600       1.499700      0.1575000    
 H   -3.271300      0.5773000       2.309200    
 H   -4.490800       1.816700       2.055200    
 H   -5.335900      -1.278600     -0.6242000    
 H   -4.124400      -2.500000     -0.2606000    
 H   -5.414500     -0.2700000       3.096800    
 H   -6.200600      0.1150000       1.569800    
 H   -4.014800      -1.963100       2.051400    
 H   -5.686300      -2.269500       1.587400    
 H   -2.163400      0.2568000      -1.756400    
 H   -3.729900     -0.3255000      -2.314800    
 H   -4.546400       1.715700      -1.636500    
 H   -5.110800       2.534000     -0.1852000    
 H   -5.803200      0.9732000     -0.6344000    
 H   -1.924000      -1.829300      -2.943300    
 H   -3.046900      -2.696000      -1.930700    
 H  -0.7419000      -3.187400      -1.265100    
 H   -1.470500      -2.256400      6.0300000E-02
 H    2.172700     -0.4046000      -1.783400    
 H    2.770500      0.6189000       1.769300    
 H    2.723000       1.954200      -2.051200    
 H    4.144000      -1.665300      -1.630600    
 H   0.1168000      0.5615000       1.094000    
 H    4.932100      0.2897000       2.861100    
 H    1.860000       4.249400      -1.729500    
 H    6.317000      -2.000100     -0.5007000    
 H  -0.7369000       2.843300       1.392000    
 H    6.715800      -1.023800       1.744900    
 H   0.1294000       4.697900     -9.3999999E-03


%chk=000045130-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045130

0 1
O 0.004238 -1.662376 -1.047166
O 0.588318 -1.432834 1.200620
N -3.502485 -0.846001 -0.391009
C -3.431161 0.577263 0.063980
C -3.882309 0.652948 1.545329
C -4.841385 -1.463946 -0.240941
C -5.281469 0.032459 1.764862
C -5.309659 -1.416697 1.228758
C -2.862746 -1.111496 -1.698766
C -4.204942 1.581148 -0.841197
C -2.175666 -2.499153 -1.746845
C -1.079761 -2.637728 -0.690371
C 1.724533 -0.068957 -0.544624
C 0.741548 -1.114816 -0.001050
C 3.156822 -0.366746 -0.070020
C 1.265428 1.360003 -0.194053
C 3.538910 -0.196129 1.284199
C 1.575111 2.405892 -1.101196
C 4.117608 -0.827599 -1.003507
C 0.578385 1.677245 1.005209
C 4.860229 -0.479228 1.692458
C 1.211806 3.740514 -0.818602
C 5.441982 -1.108860 -0.596307
C 0.210685 3.013414 1.286133
C 5.817295 -0.934147 0.754762
C 0.525646 4.050093 0.378939
H -2.359525 0.859098 0.025645
H -3.144195 0.098564 2.157309
H -3.867818 1.708896 1.878418
H -5.607655 -0.967477 -0.891134
H -4.779498 -2.516362 -0.576567
H -5.538084 0.049481 2.841281
H -6.053726 0.635736 1.246293
H -4.630310 -2.045358 1.837062
H -6.327722 -1.845296 1.307825
H -2.088452 -0.340638 -1.869205
H -3.584298 -1.037026 -2.548680
H -3.857037 1.515728 -1.888574
H -4.029632 2.616345 -0.494272
H -5.294903 1.401457 -0.833344
H -1.754284 -2.666025 -2.757118
H -2.918760 -3.301850 -1.569246
H -0.622528 -3.643247 -0.683006
H -1.461844 -2.387370 0.313674
H 1.703904 -0.168401 -1.643630
H 2.803083 0.152622 2.015381
H 2.110547 2.173093 -2.029993
H 3.828506 -0.969187 -2.052581
H 0.326449 0.881702 1.715118
H 5.144870 -0.344955 2.742215
H 1.460987 4.535476 -1.530632
H 6.175376 -1.462643 -1.329777
H -0.321541 3.242419 2.216556
H 6.843052 -1.150178 1.074290
H 0.240277 5.084729 0.599900


