%chk=000041354.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041354

0 1
 O   0.4759000       1.093000      0.2178000    
 O    1.849800       3.539900      5.2499998E-02
 O   0.5754000      -1.806000      3.7400000E-02
 O   -1.998700       2.245900      0.2175000    
 O   -4.062600      -2.140500     -0.1237000    
 O   -5.447800      8.2800001E-02 -2.4800001E-02
 N    3.873000      0.5142000     -0.6245000    
 C    4.897700     -0.1645000      0.1571000    
 C    3.340600       1.660900      9.8800004E-02
 C    2.267800       2.400300     -0.7044000    
 C    4.288800     -0.6583000       1.474900    
 C    6.032000      0.8263000      0.4398000    
 C    5.426400      -1.351100     -0.6558000    
 C    1.043300       1.540700      -1.010900    
 C  -0.6436000      0.3183000      0.1362000    
 C  -0.5725000      -1.071200      5.0000001E-02
 C   -1.680200      -1.908200     -3.6499999E-02
 C   -1.927700      0.8733000      0.1325000    
 C   -3.067000      6.5200001E-02  4.6999998E-02
 C   -2.964200      -1.332800     -3.8600001E-02
 C   -1.161500      -3.228400     -0.1047000    
 C   0.2081000      -3.110400     -5.6600001E-02
 C   -4.397100      0.7050000      4.7600001E-02
 C    1.301800      -4.091600     -8.5900001E-02
 C   -4.412400       2.176800      0.1406000    
 C   -3.245400       2.820300      0.2163000    
 H    2.899300       1.394300       1.064400    
 H    4.115800       2.405400      0.3078000    
 H    3.121300     -0.1392000     -0.8404000    
 H    2.687800       2.770300      -1.647300    
 H    3.354400      -1.208200       1.310300    
 H    4.979100      -1.350900       1.972600    
 H    4.098000      0.1415000       2.197800    
 H    6.912300      0.2921000      0.8195000    
 H    5.785900       1.570200       1.204900    
 H    6.350700       1.351100     -0.4689000    
 H    5.854000      -1.022200      -1.610300    
 H    6.211500      -1.886900     -0.1101000    
 H    4.629500      -2.071000     -0.8773000    
 H    1.297700      0.6860000      -1.647200    
 H   0.2991000       2.152100      -1.536100    
 H   -1.720200      -4.151000     -0.1799000    
 H    2.627400       4.109900      0.1794000    
 H    1.899700      -4.027600      0.8286000    
 H   0.9158000      -5.112300     -0.1685000    
 H    1.960400      -3.907500     -0.9403000    
 H   -5.361000       2.698000      0.1450000    
 H   -3.167100       3.896400      0.2868000    
 H   -4.875900      -1.613600     -0.1145000    


%chk=000041354-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041354

0 1
O 0.526556 1.095740 0.443155
O 1.894468 3.848613 0.640857
O 0.672572 -1.821678 0.255725
O -2.049874 2.235345 -0.015598
O -3.984460 -2.261022 -0.473879
O -5.422725 -0.160816 -0.637153
N 3.488753 0.494440 -0.124774
C 4.792286 -0.212788 0.083892
C 3.227836 1.736155 0.632534
C 2.296562 2.681038 -0.167899
C 5.062237 -0.539636 1.584380
C 5.948367 0.647061 -0.487101
C 4.700738 -1.532286 -0.721952
C 1.007823 2.010464 -0.636772
C -0.596286 0.322920 0.138762
C -0.511861 -1.086077 0.103439
C -1.607994 -1.974307 -0.090221
C -1.902963 0.828963 -0.050673
C -3.048216 -0.009968 -0.261886
C -2.902803 -1.438550 -0.279070
C -1.062644 -3.318080 -0.050788
C 0.296211 -3.209080 0.156872
C -4.373737 0.583950 -0.445237
C 1.414080 -4.185613 0.296644
C -4.445041 2.039032 -0.393415
C -3.312050 2.781752 -0.183315
H 2.761367 1.564486 1.625988
H 4.185050 2.266709 0.800240
H 2.699096 -0.158506 -0.007897
H 2.834104 3.016910 -1.082054
H 4.256737 -1.178926 1.992817
H 6.023971 -1.072155 1.709296
H 5.106239 0.383478 2.191828
H 6.902523 0.091219 -0.436810
H 6.084345 1.587415 0.078836
H 5.740569 0.904280 -1.540607
H 4.516488 -1.315937 -1.789176
H 5.637117 -2.111442 -0.631768
H 3.870103 -2.161786 -0.347945
H 1.206496 1.405547 -1.540564
H 0.242810 2.779866 -0.840156
H -1.623785 -4.242080 -0.164023
H 2.698550 4.235053 1.071830
H 1.921618 -4.078839 1.273238
H 1.025159 -5.213535 0.219046
H 2.175877 -4.042981 -0.492446
H -5.412112 2.529951 -0.519106
H -3.271158 3.871078 -0.124396
H -4.813600 -1.638577 -0.586800


