%chk=000072746.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072746

0 1
 O   -5.554600      -1.033700       2.382200    
 O    1.935700      0.9509000      0.5978000    
 O   0.2467000      -3.198800      -1.091500    
 O    7.085000     -0.1483000     -0.3146000    
 N    1.234800      -1.542100      0.2445000    
 N   -3.212000       1.102200      -2.053200    
 N   -1.272900     -0.2870000      -1.726900    
 C   -3.112400     -0.4215000     -0.1958000    
 C   -3.685500     -0.9939000      0.9535000    
 C   -3.767600      0.5560000     -0.9500000    
 C   -1.837600     -0.8207000     -0.6327000    
 C   -5.105100       1.026000     -0.5560000    
 C   -5.730600      0.4892000      0.5869000    
 C   -1.168800      -1.793600      0.1055000    
 C   -5.031400     -0.5503000       1.386500    
 C    3.547100     -0.7061000      7.6200001E-02
 C    4.895200     -0.9837000     -0.1603000    
 C    2.619200      -1.739800      1.8100001E-02
 C   -2.997800      -1.966400       1.677600    
 C   -1.736200      -2.364300       1.248500    
 C    4.116300       1.748800      0.4391000    
 C    5.464200       1.471400      0.2024000    
 C    3.108500      0.6702000      0.3848000    
 C   0.1567000      -2.251000     -0.2980000    
 C    5.902900      9.4999999E-02 -0.1064000    
 C   -5.803600       2.006700      -1.282000    
 C   -7.003500      0.9165000      0.9871000    
 C    5.298000      -2.292600     -0.4514000    
 C    3.007500      -3.040200     -0.2701000    
 C    4.352600      -3.317300     -0.5057000    
 C   -7.073300       2.433900     -0.8837000    
 C   -1.990900      0.6461000      -2.378600    
 C   -7.671600       1.889700      0.2486000    
 C    3.713400       3.057700      0.7302000    
 C    6.409500       2.502800      0.2571000    
 C    4.658500       4.082600      0.7831000    
 C    6.003700       3.805700      0.5473000    
 H   -3.422900      -2.420600       2.567700    
 H   -1.198800      -3.123300       1.812100    
 H   0.9943000     -0.6837000      0.7336000    
 H   -5.371500       2.457300      -2.172800    
 H   -7.487500      0.5038000       1.867900    
 H    6.341000      -2.534900     -0.6367000    
 H    2.321000      -3.879700     -0.2761000    
 H    4.668100      -4.334200     -0.7210000    
 H   -7.593900       3.193100      -1.460400    
 H    2.671400       3.301900      0.9184000    
 H   -1.533800       1.076300      -3.261300    
 H   -8.658400       2.223500      0.5558000    
 H    7.464200       2.312900      7.6899998E-02
 H    4.345300       5.097900       1.008800    
 H    6.737500       4.605500      0.5894000    


%chk=000072746-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072746

0 1
O -6.421255 -2.128150 0.380213
O 1.847735 1.081381 -0.130367
O 0.427176 -3.759115 0.490429
O 7.206705 -0.164789 -0.122574
N 1.180681 -1.526419 0.232427
N -2.615275 1.941260 -0.016157
N -0.815797 0.314246 0.109084
C -3.140529 -0.436715 0.200133
C -4.091709 -1.497900 0.302198
C -3.537845 0.943935 0.083632
C -1.729897 -0.716417 0.210619
C -4.974204 1.279919 0.072066
C -5.951534 0.239367 0.172397
C -1.260352 -2.071501 0.326689
C -5.556423 -1.198131 0.291249
C 3.518077 -0.656088 0.054290
C 4.926132 -0.944768 0.059209
C 2.580451 -1.748526 0.235114
C -3.619131 -2.816907 0.413285
C -2.226650 -3.092428 0.425276
C 4.114442 1.817371 -0.334792
C 5.503971 1.520117 -0.334858
C 3.082807 0.751104 -0.135212
C 0.193549 -2.512794 0.356689
C 5.966079 0.120625 -0.131535
C -5.397436 2.629031 -0.038023
C -7.329564 0.569662 0.160372
C 5.404805 -2.258186 0.243016
C 3.105294 -3.067338 0.418767
C 4.488416 -3.310281 0.423637
C -6.770552 2.943355 -0.048119
C -1.288577 1.566914 0.000302
C -7.740037 1.912277 0.051074
C 3.688145 3.155342 -0.527055
C 6.452803 2.554477 -0.526558
C 4.634415 4.181578 -0.717832
C 6.021159 3.881329 -0.718072
H -4.351029 -3.627156 0.490931
H -1.858284 -4.119086 0.514147
H 0.825602 -0.534074 0.130718
H -4.631477 3.405863 -0.113570
H -8.054646 -0.246616 0.238298
H 6.486482 -2.419526 0.238795
H 2.400191 -3.887006 0.552870
H 4.846415 -4.334733 0.569344
H -7.090441 3.987274 -0.133106
H 2.614010 3.362376 -0.523100
H -0.548300 2.366481 -0.082392
H -8.806437 2.160850 0.042480
H 7.514689 2.289526 -0.520502
H 4.299163 5.213558 -0.866623
H 6.754087 4.681329 -0.866902


