%chk=000177851.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177851

0 1
 O    4.706700      6.5700002E-02   1.321800    
 O   -1.044100     -0.1323000      -1.311400    
 O   -1.119300      -1.347000      0.6696000    
 N    3.804600       1.977300      0.2882000    
 N    5.416100      -1.187100       1.111600    
 N   -2.802400      -1.550100     -0.9140000    
 C    3.952200     -2.8700000E-02  -1.044100    
 C    4.660300      0.7998000      8.8799998E-02
 C    4.229900      -1.542200     -0.9530000    
 C    2.517000      0.3847000     -0.7866000    
 C    2.512200       1.574800     -3.7400000E-02
 C    4.358000      0.4885000      -2.437800    
 C    4.417100      -2.046600      0.4759000    
 C    1.338400     -0.2001000      -1.225200    
 C    4.105000       3.000700       1.258500    
 C    1.311000       2.193500      0.2752000    
 C   0.1315000      0.4174000     -0.8976000    
 C    5.729400      -1.650700       2.458400    
 C   0.1178000       1.605900     -0.1543000    
 C   -1.619900      -1.048300     -0.4106000    
 C   -5.641400     -0.9719000     -0.1029000    
 C   -4.664900      -1.852700      0.6835000    
 C   -6.732900     -0.3451000      0.7703000    
 C   -3.623000      -2.512200     -0.2161000    
 C   -7.667300      0.5912000      8.9999998E-04
 C   -8.741500       1.177000      0.9185000    
 C   -9.650700       2.138300      0.1695000    
 H    5.679300       1.098400     -0.1883000    
 H    3.446100      -2.126100      -1.448900    
 H    5.158100      -1.764900      -1.498700    
 H    4.170600       1.562500      -2.553700    
 H    3.798500     -2.6699999E-02  -3.227400    
 H    5.425700      0.3219000      -2.619800    
 H    4.771300      -3.083600      0.4384000    
 H    3.462200      -2.040300       1.017100    
 H    1.349400      -1.107300      -1.819800    
 H    3.615900       3.945200      0.9984000    
 H    3.781100       2.699400       2.260300    
 H    5.183100       3.189700       1.291900    
 H    1.279600       3.114800      0.8477000    
 H    6.432800     -0.9617000       2.938600    
 H    6.215600      -2.631400       2.422100    
 H    4.839200      -1.728700       3.093300    
 H  -0.8284000       2.082400      9.0800002E-02
 H   -5.089600     -0.1667000     -0.6027000    
 H   -6.115300      -1.569100     -0.8918000    
 H   -5.223600      -2.634900       1.210800    
 H   -4.163400      -1.244200       1.446000    
 H   -7.321700      -1.145900       1.234600    
 H   -6.259000      0.2132000       1.587400    
 H   -4.110100      -3.134300     -0.9744000    
 H   -2.975900      -3.159400      0.3859000    
 H   -3.113100      -1.221400      -1.823300    
 H   -8.142700      4.1800000E-02 -0.8206000    
 H   -7.081900       1.402600     -0.4483000    
 H   -9.345500      0.3691000       1.347600    
 H   -8.269300       1.708000       1.753300    
 H   -9.080600       2.976800     -0.2430000    
 H   -10.41130       2.543800      0.8440000    
 H   -10.16260       1.631700     -0.6549000    


%chk=000177851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177851

0 1
O 5.119428 0.191954 1.288762
O -1.039480 0.447378 -0.767170
O -0.853041 -1.754164 0.135811
N 4.332969 1.939080 -0.066080
N 5.620008 -1.252490 1.287123
N -2.845930 -0.907228 -0.787176
C 4.057507 -0.249277 -0.980716
C 5.018108 0.656879 -0.129892
C 4.194222 -1.757017 -0.643384
C 2.703270 0.393786 -0.651220
C 2.940901 1.709526 -0.159874
C 4.362619 -0.024259 -2.491207
C 4.428040 -2.041710 0.850204
C 1.401468 -0.073923 -0.851671
C 4.903947 3.092633 0.629328
C 1.874403 2.580500 0.137835
C 0.328269 0.799336 -0.533066
C 5.976056 -1.483996 2.705229
C 0.552496 2.103784 -0.052531
C -1.524186 -0.847774 -0.413408
C -5.905914 -0.790085 -0.219504
C -4.893251 -1.792219 0.379800
C -7.136038 -0.555144 0.686584
C -3.686549 -2.088495 -0.540349
C -8.151579 0.444560 0.089514
C -9.380952 0.682456 0.996293
C -10.391808 1.680806 0.392072
H 6.040429 0.724190 -0.548087
H 3.289731 -2.291943 -0.990391
H 5.053956 -2.166827 -1.207010
H 4.251370 1.039883 -2.764066
H 3.663957 -0.613293 -3.112442
H 5.393471 -0.345693 -2.732623
H 4.664596 -3.113046 0.995557
H 3.534032 -1.785025 1.460415
H 1.200816 -1.083489 -1.219324
H 4.561011 4.031370 0.155508
H 4.632225 3.117617 1.704277
H 6.003041 3.052255 0.554491
H 2.044497 3.590743 0.522354
H 6.789625 -0.795202 2.982572
H 6.339088 -2.523352 2.798665
H 5.120206 -1.330348 3.399008
H -0.309984 2.737989 0.174598
H -5.408546 0.186575 -0.399453
H -6.245813 -1.159516 -1.210336
H -5.410347 -2.752414 0.581858
H -4.521311 -1.416296 1.353068
H -7.642646 -1.525133 0.873664
H -6.795642 -0.186750 1.676689
H -4.048193 -2.491722 -1.508673
H -3.029964 -2.849056 -0.084054
H -3.243744 -0.075874 -1.225376
H -8.493847 0.074840 -0.899960
H -7.645269 1.414441 -0.099853
H -9.885553 -0.286842 1.187018
H -9.038029 1.053251 1.983845
H -9.919851 2.666312 0.217946
H -11.258370 1.834737 1.061063
H -10.775625 1.317220 -0.579953


