%chk=000100114.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100114

0 1
 O   0.3840000     -0.4745000       1.099700    
 O   -1.228100      -1.026300       2.639700    
 O   -2.518100      -2.467700      -1.679400    
 O   -4.600400      -2.774600     -0.8505000    
 O   -5.648400       1.990700      0.5811000    
 N   -1.682700      -1.011600      0.3647000    
 N   -5.121700       2.678900      -1.551300    
 C    2.651900      0.1382000       1.533100    
 C    2.550800       1.420800      0.7198000    
 C    3.149600     -0.8483000      0.4864000    
 C    2.956300       1.191400     -0.6145000    
 C    3.323600     -0.2009000     -0.7577000    
 C    1.319500     -0.2762000       2.144600    
 C    2.150200       2.677600       1.143300    
 C    3.436100      -2.194800      0.6421000    
 C    2.953800       2.222900      -1.539400    
 C    3.779300     -0.9040000      -1.861000    
 C    2.147800       3.716600      0.2110000    
 C    3.895000      -2.903100     -0.4699000    
 C    2.544800       3.491300      -1.117600    
 C    4.064200      -2.264100      -1.709600    
 C   -3.070800      -1.407300      0.4268000    
 C   -3.993600     -0.1914000      0.5746000    
 C  -0.8809000     -0.8552000       1.475700    
 C   -4.049800      0.6994000     -0.6698000    
 C   -3.488200      -2.266400     -0.7559000    
 C   -5.024100       1.838600     -0.4659000    
 H    3.420700      0.2648000       2.304700    
 H   0.9520000      0.4996000       2.826900    
 H    1.437500      -1.209900       2.707800    
 H    1.847200       2.857100       2.168900    
 H    3.311100      -2.690900       1.598200    
 H    3.259600       2.065100      -2.568300    
 H    3.917100     -0.4241000      -2.824200    
 H    1.836800       4.712500      0.5153000    
 H    4.126000      -3.961000     -0.3769000    
 H    2.535000       4.315900      -1.825700    
 H    4.423200      -2.836100      -2.561300    
 H   -3.180400      -2.041200       1.315800    
 H   -3.677400      0.4064000       1.439500    
 H   -5.007600     -0.5479000      0.8001000    
 H   -1.273000     -0.8263000     -0.5460000    
 H   -3.062000       1.122400     -0.8845000    
 H   -4.377700      0.1312000      -1.547000    
 H   -2.823600      -3.042900      -2.412900    
 H   -4.588200       2.529000      -2.401700    
 H   -5.739400       3.483700      -1.535400    


%chk=000100114-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100114

0 1
O 0.353240 -1.608646 1.327069
O -1.294727 -0.549357 2.661692
O -3.154922 -2.631291 -1.310339
O -5.228205 -1.927390 -0.534499
O -3.084418 3.266507 0.058705
N -1.767893 -1.425456 0.540580
N -3.482499 3.050440 -2.212034
C 2.386415 -0.203437 1.580991
C 1.705163 0.951304 0.840499
C 3.262908 -0.823197 0.489814
C 2.163137 1.004948 -0.510552
C 3.129125 -0.089928 -0.726441
C 1.407814 -1.179006 2.273268
C 0.743082 1.862996 1.307623
C 4.123020 -1.931031 0.566264
C 1.672041 1.990892 -1.394396
C 3.862385 -0.466216 -1.873144
C 0.237000 2.843438 0.416614
C 4.856673 -2.312487 -0.586044
C 0.704769 2.908568 -0.920199
C 4.726651 -1.583752 -1.794442
C -3.198039 -1.105794 0.594243
C -3.511045 0.415191 0.425819
C -0.946537 -1.132618 1.600653
C -3.024790 0.999394 -0.914877
C -3.985348 -1.911906 -0.433862
C -3.204173 2.522947 -0.959735
H 3.035481 0.194977 2.391699
H 0.922039 -0.709051 3.147225
H 1.927375 -2.100232 2.587388
H 0.364206 1.810294 2.334094
H 4.234775 -2.498619 1.498098
H 2.026395 2.044913 -2.430349
H 3.768696 0.093651 -2.810657
H -0.540718 3.536205 0.753372
H 5.530760 -3.175285 -0.542526
H 0.305697 3.677473 -1.591766
H 5.302888 -1.890172 -2.674861
H -3.589594 -1.391188 1.591142
H -3.026025 0.956414 1.255283
H -4.602786 0.549328 0.532446
H -1.391150 -1.932368 -0.262050
H -1.941306 0.793883 -1.029994
H -3.544907 0.527560 -1.771630
H -3.711490 -3.139671 -1.959394
H -3.601123 2.462570 -3.035009
H -3.583040 4.061604 -2.302382


