%chk=000155631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155631

0 1
 O   -3.885500     -0.2045000       1.017600    
 O    1.419600       2.812800      0.1431000    
 O  -0.6989000       3.935300      7.1800001E-02
 N   -2.009000      -2.336300      7.4000001E-02
 C  -0.7078000      -1.704400     -0.2624000    
 C  -0.7391000     -0.1730000     -0.1686000    
 C   0.4236000      -2.226800      0.6534000    
 C   -1.981700      0.5119000     -0.2065000    
 C   -3.276800     -0.2510000     -0.2721000    
 C   -3.091900      -1.706400     -0.7018000    
 C   0.4917000      0.5399000     -9.3699999E-02
 C    1.743900      -1.573300      0.3121000    
 C    1.766700     -0.2135000     -6.8000004E-02
 C   0.3907000       1.927300     -7.7000000E-03
 C   -2.017600       1.909400     -0.1369000    
 C  -0.8223000       2.583100     -3.2800000E-02
 C   -2.011200      -3.779600     -0.1901000    
 C    2.931100      -2.317300      0.3983000    
 C    3.009500      0.3395000     -0.4222000    
 C   0.7275000       4.073000      0.1773000    
 C    4.149900      -1.735200      6.7400001E-02
 C    4.187400     -0.4109000     -0.3521000    
 H  -0.4580000      -1.938500      -1.308800    
 H   0.5373000      -3.309800      0.5374000    
 H   0.1996000      -2.026800       1.709700    
 H   -3.959900      0.2320000     -0.9815000    
 H   -4.035800      -2.236800     -0.5217000    
 H   -2.876200      -1.762900      -1.777300    
 H   -2.958800       2.449300     -0.1510000    
 H   -1.333500      -4.312000      0.4832000    
 H   -1.735400      -4.010800      -1.225200    
 H   -3.003300      -4.205400      1.2000001E-03
 H    2.907900      -3.357200      0.7138000    
 H    3.094800       1.362200     -0.7774000    
 H   -4.046600      0.7269000       1.245200    
 H    1.084700       4.693500     -0.6526000    
 H   0.9642000       4.578400       1.120500    
 H    5.065600      -2.315500      0.1263000    
 H    5.134600      4.3800000E-02 -0.6281000    


%chk=000155631-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155631

0 1
O -3.880552 -0.329139 1.123769
O 1.488682 2.888405 -0.125313
O -0.594717 4.055304 -0.166312
N -2.076969 -2.266095 0.004725
C -0.739800 -1.669874 -0.276559
C -0.779777 -0.136515 -0.211519
C 0.350580 -2.185067 0.688647
C -2.007139 0.569306 -0.227723
C -3.323424 -0.196179 -0.240463
C -3.118919 -1.600426 -0.825135
C 0.485679 0.551677 -0.152784
C 1.697832 -1.577901 0.333344
C 1.754162 -0.213318 -0.085590
C 0.410844 1.955846 -0.141639
C -2.039570 1.992317 -0.201447
C -0.816097 2.651558 -0.158957
C -2.106471 -3.739213 -0.137544
C 2.888750 -2.330286 0.426394
C 3.016302 0.360789 -0.400025
C 0.849673 4.208570 0.119978
C 4.140080 -1.751845 0.114129
C 4.198587 -0.402154 -0.302000
H -0.421534 -1.952215 -1.318902
H 0.424153 -3.285304 0.649414
H 0.055466 -1.908349 1.721944
H -4.094740 0.360951 -0.798751
H -4.060129 -2.168706 -0.731071
H -2.837561 -1.551605 -1.905527
H -2.987968 2.535634 -0.199690
H -1.486542 -4.220839 0.636266
H -1.751448 -4.086940 -1.138539
H -3.143327 -4.089766 0.001680
H 2.836147 -3.377823 0.747441
H 3.069037 1.404590 -0.718847
H -3.302560 -1.018575 1.558537
H 1.280298 4.947034 -0.572484
H 0.985184 4.479079 1.185120
H 5.056302 -2.347893 0.190129
H 5.162487 0.055369 -0.550895


