%chk=000157211.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157211

0 1
 O   -2.177300      0.3673000     -0.6133000    
 O    2.862000      0.8792000      -1.795400    
 O   -2.081100     -0.6865000       1.465400    
 N    4.304500     -0.8858000     -3.3100002E-02
 C   -3.797200      -1.335400     -0.1538000    
 C    2.668600      0.9513000     -0.3763000    
 C   -3.401700      -2.099500      -1.424100    
 C   -4.271300      -2.309100      0.9331000    
 C   -4.942600     -0.3667000     -0.4899000    
 C    1.284800       1.431400     -9.7000003E-02
 C    2.944200     -0.4317000      0.2467000    
 C   -2.592000     -0.5396000      0.3613000    
 C   0.1876000      0.6650000     -0.4904000    
 C   -1.078500       1.134100     -0.2190000    
 C    1.087400       2.647200      0.5578000    
 C    4.553800      -2.179900      0.5834000    
 C   -1.303900       2.330200      0.4257000    
 C  -0.2068000       3.096600      0.8190000    
 C    5.959400      -2.668000      0.2998000    
 H    3.403300       1.671400      5.4000001E-03
 H   -3.115800      -1.422300      -2.236800    
 H   -2.545300      -2.756400      -1.233400    
 H   -4.228600      -2.720800      -1.785900    
 H   -3.479600      -3.018300       1.201300    
 H   -5.137900      -2.889100      0.5967000    
 H   -4.558400      -1.777200       1.847600    
 H   -4.671700      0.3194000      -1.300400    
 H   -5.841700     -0.9090000     -0.8030000    
 H   -5.204100      0.2475000      0.3796000    
 H    2.251200      -1.173200     -0.1685000    
 H    2.774000     -0.3807000       1.329800    
 H   0.3169000     -0.2775000      -1.013700    
 H    4.974000     -0.2012000      0.3172000    
 H    1.931500       3.256000      0.8708000    
 H    4.415600      -2.118500       1.669500    
 H    3.845000      -2.923100      0.1993000    
 H   -2.311300       2.680000      0.6283000    
 H  -0.3607000       4.043200       1.328800    
 H    3.760400      0.5393000      -1.947600    
 H    6.132100      -2.774100     -0.7765000    
 H    6.708100      -1.975600      0.6994000    
 H    6.123000      -3.645500      0.7650000    


%chk=000157211-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157211

0 1
O -2.358590 0.457858 -0.302301
O 2.512247 -0.293515 -1.629732
O -1.635367 -1.528104 0.716110
N 4.392121 -0.777782 0.209470
C -3.905126 -1.407888 -0.313874
C 2.643539 0.751955 -0.622274
C -3.994829 -1.369988 -1.868414
C -4.071944 -2.857819 0.199249
C -5.004230 -0.489709 0.294896
C 1.289660 1.366142 -0.305441
C 3.276977 0.097329 0.649881
C -2.517169 -0.892504 0.106184
C 0.115646 0.594382 -0.463658
C -1.122882 1.153669 -0.096945
C 1.200777 2.688282 0.195562
C 4.741110 -1.899117 1.120534
C -1.230105 2.465630 0.407823
C -0.053863 3.234138 0.549237
C 5.889312 -2.739319 0.537163
H 3.329058 1.550879 -0.989290
H -3.869763 -0.341557 -2.246391
H -3.220189 -2.009367 -2.329823
H -4.984099 -1.747300 -2.186244
H -3.292467 -3.520537 -0.214645
H -5.062018 -3.244616 -0.103457
H -3.997737 -2.903343 1.299795
H -4.900162 0.545989 -0.068359
H -6.000073 -0.870061 0.001780
H -4.952669 -0.481056 1.399044
H 2.513825 -0.545123 1.126174
H 3.570189 0.879091 1.384013
H 0.196294 -0.412068 -0.879879
H 5.229421 -0.233317 -0.046593
H 2.108726 3.295633 0.296479
H 5.020415 -1.538725 2.138667
H 3.837281 -2.525782 1.239115
H -2.214428 2.865791 0.668843
H -0.119949 4.259538 0.928743
H 3.270314 -0.921817 -1.398919
H 5.612297 -3.141489 -0.453109
H 6.808824 -2.134486 0.418286
H 6.129527 -3.585517 1.205100


