%chk=000164105.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164105

0 1
 O    4.957400     -0.6367000      0.1524000    
 O  -0.7307000       1.916000     -0.7902000    
 O   -7.586600     -0.9851000      0.5482000    
 O   -7.665000       1.095800     -0.3627000    
 N   -1.370500     -0.1487000      0.1224000    
 C    3.042500      -2.715500     -0.1553000    
 C    4.306400       2.129300      0.2410000    
 C    2.657800      -1.227400     -0.1106000    
 C    3.276700       1.060100      7.9300001E-02
 C    3.644200     -0.2849000      4.0899999E-02
 C    4.002300      -3.078600      -1.310900    
 C    3.745100      -3.110300       1.161800    
 C    1.772100      -3.575400     -0.3305000    
 C    3.719800       3.369500      0.9827000    
 C    4.837800       2.614800      -1.142500    
 C    5.576800       1.717700       1.055300    
 C    1.326000     -0.9106000     -0.2263000    
 C    1.933800       1.419800     -3.5000000E-02
 C   0.9584000      0.4344000     -0.1877000    
 C  -0.4417000      0.8092000     -0.3076000    
 C   -2.785000     -7.5599998E-02  0.1047000    
 C   -3.397600       1.063400     -0.3889000    
 C   -3.522700      -1.145600      0.5814000    
 C   -4.790500       1.134500     -0.4064000    
 C   -4.915600      -1.074700      0.5637000    
 C   -5.549600      6.5399997E-02  6.9700003E-02
 C   -7.001900      0.1392000      5.0999999E-02
 H    4.989900      -2.619900      -1.212900    
 H    4.163300      -4.162000      -1.364600    
 H    3.588300      -2.756300      -2.273600    
 H    3.148600      -2.809800       2.031700    
 H    3.874000      -4.198300       1.218400    
 H    4.742500      -2.678900       1.280100    
 H    1.065900      -3.466400      0.5017000    
 H    1.264800      -3.396300      -1.286400    
 H    2.042500      -4.640200     -0.3393000    
 H    4.507000       4.095300       1.222000    
 H    2.995500       3.922500      0.3751000    
 H    3.243500       3.083700       1.928000    
 H    4.021100       3.006200      -1.760300    
 H    5.581000       3.411800      -1.026300    
 H    5.304300       1.795200      -1.700600    
 H    6.311100       1.154300      0.4721000    
 H    5.313000       1.159000       1.960700    
 H    6.127000       2.607700       1.387800    
 H   0.5517000      -1.639500     -0.4050000    
 H    1.614900       2.455900     -3.0400001E-02
 H    5.396500     -0.3189000     -0.6565000    
 H   -1.020200      -1.001600      0.5497000    
 H   -2.881700       1.930000     -0.7741000    
 H   -3.038500      -2.038200      0.9677000    
 H   -5.266600       2.031200     -0.7950000    
 H   -5.467500      -1.929600      0.9440000    
 H   -8.565600     -0.9256000      0.5307000    


%chk=000164105-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164105

0 1
O 5.014681 -0.726407 0.053654
O -0.776217 2.092167 -0.371420
O -7.767177 -1.085706 0.546936
O -7.854456 1.135712 -0.126546
N -1.432423 -0.092934 0.186068
C 3.097193 -2.833802 -0.294973
C 4.399321 2.205883 0.220149
C 2.698102 -1.341407 -0.155582
C 3.326829 1.087059 0.087175
C 3.672326 -0.303026 0.000477
C 4.001534 -3.031774 -1.550293
C 3.848967 -3.308948 0.986458
C 1.857390 -3.753320 -0.470863
C 3.750364 3.616462 0.273110
C 5.350122 2.211614 -1.022712
C 5.208184 2.047232 1.550146
C 1.344613 -0.941310 -0.189952
C 1.954625 1.406498 0.042830
C 0.954785 0.416265 -0.078085
C -0.469979 0.887205 -0.111480
C -2.842929 0.013644 0.172713
C -3.536068 1.207438 -0.180525
C -3.586005 -1.149029 0.532513
C -4.941042 1.215335 -0.172886
C -4.988176 -1.127875 0.539083
C -5.683121 0.058785 0.183775
C -7.161115 0.131423 0.173424
H 4.928623 -2.443562 -1.473378
H 4.272679 -4.100000 -1.648123
H 3.466437 -2.728444 -2.469374
H 3.203975 -3.206780 1.879190
H 4.122643 -4.375817 0.881660
H 4.768804 -2.727384 1.150026
H 1.176727 -3.710465 0.400846
H 1.282441 -3.511949 -1.384803
H 2.201868 -4.798877 -0.566332
H 4.546508 4.378385 0.358631
H 3.170907 3.837660 -0.640872
H 3.082179 3.730879 1.145271
H 4.766759 2.392516 -1.943097
H 6.094070 3.022974 -0.920453
H 5.910739 1.271494 -1.183215
H 5.756369 1.091206 1.651069
H 4.526148 2.110570 2.416852
H 5.951640 2.860918 1.635019
H 0.589527 -1.714976 -0.357110
H 1.614801 2.443074 0.095143
H 5.619637 0.046061 0.162381
H -1.068707 -1.001011 0.482796
H -2.963096 2.097012 -0.444957
H -3.055438 -2.070415 0.805380
H -5.489136 2.124130 -0.442714
H -5.557845 -2.019275 0.814781
H -8.753586 -0.963808 0.516789


