%chk=000126263.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126263

0 1
 O    4.031000       1.583600      -1.336400    
 O    2.156000      -3.609100      0.2446000    
 O  -0.4213000      -2.753000     -0.1403000    
 O    4.891400       2.991000      0.8949000    
 N   0.9214000       1.687100     -0.4634000    
 C    1.426100      0.4228000     -0.2704000    
 C    2.746100      5.0000002E-04 -7.5199999E-02
 C   0.3472000     -0.4612000     -0.2981000    
 C  -0.8354000      0.3148000     -0.5155000    
 C    3.885100      0.9672000     -4.7699999E-02
 C  -0.4447000       1.650400     -0.6147000    
 C    2.969900      -1.368100      9.6799999E-02
 C   0.5989000      -1.838200     -0.1220000    
 C    1.913700      -2.275700      7.3899999E-02
 C    3.789600       2.093200       1.011300    
 C   -2.205500      2.0999999E-03 -0.6376000    
 C   -3.127900       1.032300     -0.8528000    
 C   -1.355000       2.691400     -0.8301000    
 C    4.365100      -1.869700      0.3094000    
 C   -2.706600       2.356500     -0.9475000    
 C    3.748200       1.571600       2.440900    
 C   -4.578700      0.7062000     -0.9823000    
 C   -5.305400      0.7254000      0.3399000    
 C    1.773100      -4.475100     -0.8197000    
 C   -5.940700     -0.2915000      0.9532000    
 C   -6.647200     -0.2015000       2.276000    
 C   -5.994300      -1.653100      0.3125000    
 H    4.851100      0.4837000      0.1141000    
 H    1.470500       2.530200     -0.5411000    
 H    2.907400       2.716300      0.8542000    
 H   -2.563600      -1.020000     -0.5795000    
 H   -1.027400       3.723100     -0.9033000    
 H    4.794500      -1.441300       1.221500    
 H    4.417000      -2.956200      0.4305000    
 H    4.996800      -1.629100     -0.5525000    
 H   -3.428100       3.153500      -1.113200    
 H    4.643300      0.9809000       2.664900    
 H    3.739200       2.405600       3.151400    
 H    2.864800      0.9537000       2.625100    
 H   -5.059300       1.450900      -1.631900    
 H   -4.697900     -0.2336000      -1.529300    
 H    3.908400      0.8986000      -2.015700    
 H   -1.259300      -2.302900      3.7500001E-02
 H    4.914100       3.304800     -2.5200000E-02
 H   -5.311800       1.692100      0.8432000    
 H   0.8045000      -4.933000     -0.6002000    
 H    2.516200      -5.275300     -0.8859000    
 H    1.741700      -3.960200      -1.786500    
 H   -6.606000      0.8131000       2.685800    
 H   -7.701400     -0.4746000       2.164700    
 H   -6.184400     -0.8751000       3.004300    
 H   -5.162800      -1.859900     -0.3644000    
 H   -5.946200      -2.432500       1.082100    
 H   -6.936000      -1.776800     -0.2316000    


%chk=000126263-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126263

0 1
O 3.671427 1.907711 -1.573450
O 1.981233 -3.392165 1.006013
O -0.639289 -2.377818 0.828116
O 5.184434 2.983999 0.363119
N 0.972642 1.844348 -0.695642
C 1.403541 0.571187 -0.288378
C 2.729025 0.085011 -0.159904
C 0.247527 -0.225414 -0.008080
C -0.926620 0.606772 -0.261061
C 3.900581 1.021947 -0.379434
C -0.427962 1.888510 -0.692173
C 2.893557 -1.278444 0.221118
C 0.434343 -1.552254 0.445104
C 1.747998 -2.084331 0.521684
C 4.129098 2.045258 0.768460
C -2.326758 0.402189 -0.194629
C -3.216238 1.448383 -0.532431
C -1.299103 2.942952 -1.031070
C 4.271623 -1.906334 0.356715
C -2.687214 2.707875 -0.940547
C 4.587557 1.395559 2.074399
C -4.732825 1.225931 -0.509188
C -5.212156 0.336105 0.622270
C 1.324192 -4.496297 0.275026
C -5.912994 -0.832435 0.534884
C -6.336227 -1.578945 1.791264
C -6.345650 -1.491157 -0.764060
H 4.845358 0.466363 -0.530470
H 1.620007 2.534773 -1.078639
H 3.176853 2.595852 0.934278
H -2.767774 -0.558420 0.104123
H -0.916135 3.918725 -1.348226
H 4.834273 -1.477883 1.206689
H 4.171879 -2.986421 0.538226
H 4.883790 -1.754435 -0.552233
H -3.383566 3.516871 -1.193464
H 5.547943 0.870546 1.925686
H 4.744906 2.177913 2.835831
H 3.834491 0.682059 2.450625
H -5.227395 2.215338 -0.424751
H -5.054214 0.812859 -1.485375
H 3.639897 1.346090 -2.387579
H -1.467252 -1.843861 0.912741
H 4.982655 3.245077 -0.575209
H -4.954477 0.702415 1.628263
H 0.227351 -4.422847 0.357337
H 1.685055 -5.415567 0.762062
H 1.625898 -4.491347 -0.791075
H -6.005456 -1.061713 2.708542
H -7.438580 -1.685351 1.836384
H -5.920970 -2.606666 1.804536
H -5.958294 -0.981867 -1.661377
H -6.005439 -2.545165 -0.796823
H -7.451148 -1.515578 -0.839524


