%chk=000177706.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177706

0 1
 O   0.5066000      -2.402300      0.3818000    
 O    4.510200      -1.757900      0.5913000    
 O   -4.822200      0.3214000      -1.695100    
 O   -2.563800       1.622300       2.102500    
 N    3.310500      -1.882400     -0.1102000    
 N   -3.674600      0.9444000      0.2021000    
 C    1.413600     -0.5678000     -0.8686000    
 C    1.237800      0.8739000      -1.344600    
 C    1.338900       1.914400     -0.2174000    
 C    3.392100      0.4919000      0.4978000    
 C   0.2708000      -1.044700      2.3399999E-02
 C    2.336100       1.527900      0.8921000    
 C    2.743200     -0.7193000     -0.1525000    
 C   -1.072400     -0.9400000     -0.6995000    
 C   -2.233000      -1.443400      0.1629000    
 C    1.646700       3.297900     -0.7944000    
 C    4.483500       1.060900     -0.4039000    
 C   -3.566100      -1.382600     -0.5758000    
 C   -2.345000     -0.6791000       1.478100    
 C   -4.069500      2.8999999E-02 -0.7660000    
 C   -2.843500      0.7354000       1.296000    
 H    1.467600      -1.217500      -1.753700    
 H    2.027100       1.074500      -2.081600    
 H   0.3119000       1.019300      -1.909900    
 H   0.3497000       1.991400      0.2548000    
 H    3.861200      0.1962000       1.444700    
 H   0.2747000     -0.4688000      0.9497000    
 H    1.754900       1.105300       1.723500    
 H    2.819700       2.420100       1.309500    
 H   -1.274800      9.1499999E-02 -0.9978000    
 H   -1.039600      -1.540700      -1.618000    
 H   -2.046500      -2.498700      0.4017000    
 H    2.635900       3.328400      -1.262000    
 H   0.9052000       3.575700      -1.551200    
 H    1.621100       4.060300     -8.6000003E-03
 H    4.108500       1.333100      -1.393800    
 H    4.926300       1.956400      4.5100000E-02
 H    5.292400      0.3405000     -0.5626000    
 H   -4.333900      -1.926500     -1.2200000E-02
 H   -3.478700      -1.857600      -1.559600    
 H   -1.417000     -0.6666000       2.053500    
 H   -3.084600      -1.180800       2.116900    
 H   0.5099000      -2.932900     -0.4332000    
 H   -4.026700       1.890900      8.7200001E-02
 H    4.848800      -2.668600      0.5634000    


%chk=000177706-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177706

0 1
O 0.354947 -2.417684 0.266988
O 4.328901 -1.980775 0.979048
O -4.940335 0.636057 -1.507081
O -2.729052 1.166416 2.527218
N 3.112025 -1.909338 0.147088
N -3.830229 0.813907 0.518613
C 1.450937 -0.515756 -0.884964
C 1.351265 0.922140 -1.447279
C 1.412546 2.040168 -0.367901
C 3.440221 0.569834 0.481191
C 0.232643 -0.980894 -0.012053
C 2.396726 1.678306 0.794792
C 2.740582 -0.662484 -0.069992
C -1.123583 -0.780417 -0.714168
C -2.293278 -1.508490 0.000444
C 1.751082 3.399196 -1.024197
C 4.594772 1.027869 -0.458329
C -3.624308 -1.311891 -0.765298
C -2.491760 -1.049882 1.466751
C -4.189104 0.100264 -0.649962
C -2.993749 0.382832 1.576927
H 1.486485 -1.231001 -1.731405
H 2.181594 1.066483 -2.166160
H 0.423648 1.029166 -2.039332
H 0.401821 2.134306 0.080248
H 3.919421 0.268773 1.432982
H 0.243576 -0.419023 0.948719
H 1.810482 1.348501 1.674681
H 2.942406 2.587099 1.115191
H -1.336224 0.304115 -0.790534
H -1.048866 -1.176336 -1.746680
H -2.038933 -2.582089 0.017639
H 2.773607 3.391048 -1.446720
H 1.048106 3.634247 -1.845902
H 1.696020 4.222003 -0.287787
H 4.234965 1.310233 -1.462395
H 5.102053 1.906341 -0.018801
H 5.338682 0.220335 -0.571537
H -4.394024 -2.006072 -0.369732
H -3.522136 -1.534173 -1.841435
H -1.566907 -1.137224 2.057156
H -3.241153 -1.703618 1.958443
H 1.332864 -2.637233 0.339172
H -4.204495 1.768363 0.596481
H 4.478760 -2.958820 1.045673


