%chk=000133606.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133606

0 1
 O  -0.2858000      4.4000000E-03   2.108300    
 O    1.557000       2.628200      0.5002000    
 O   0.1728000       4.251200       1.250000    
 O   -4.127200      -3.141600     -0.7554000    
 O   -2.881300      -4.057000      0.9095000    
 N  -0.4125000      0.9072000     -2.4400000E-02
 N  -0.8212000      -2.393500      0.5308000    
 C   -1.768200       2.859200     -0.6493000    
 C   -2.970400       2.019100      -1.137000    
 C  -0.8262000       2.224300      0.3849000    
 C   0.2274000      -1.421900      0.2180000    
 C    1.577100      -1.918800      0.7561000    
 C  -0.1725000     -0.1114000      0.8890000    
 C   -3.811600       2.709100      -2.208500    
 C   -3.860100       1.667800      6.1500002E-02
 C   0.3298000       3.132200      0.7734000    
 C    2.756300      -1.262500      7.7100001E-02
 C   -1.974900      -2.201100     -0.3333000    
 C    3.309300      -1.835500      -1.068200    
 C    3.291900     -8.3099999E-02  0.5950000    
 C    4.397800      -1.229500      -1.695400    
 C    4.380400      0.5229000     -3.2400001E-02
 C   -3.021200      -3.219200      2.7500000E-02
 C    4.933300     -5.0400000E-02  -1.177500    
 H   -2.136300       3.815500     -0.2531000    
 H   -1.170200       3.124700      -1.532800    
 H   -2.597100       1.083900      -1.571900    
 H   -1.384500       2.098600       1.321800    
 H   0.3088000      -1.299500     -0.8697000    
 H  -0.2207000      0.7511000      -1.009700    
 H    1.654600      -1.773900       1.842000    
 H    1.675200      -3.002900      0.6039000    
 H   -4.241200       3.644100      -1.833200    
 H   -3.198200       2.947200      -3.083800    
 H   -4.632900       2.064800      -2.539300    
 H   -4.743000       1.107300     -0.2651000    
 H   -3.334400       1.038500      0.7855000    
 H   -4.206900       2.569400      0.5779000    
 H  -0.4638000      -3.338200      0.3865000    
 H   -1.707100      -2.347200      -1.385400    
 H   -2.420800      -1.212200     -0.1923000    
 H    2.899400      -2.752400      -1.483100    
 H    2.875800      0.3676000       1.491800    
 H    4.828000      -1.675300      -2.587400    
 H    4.798200       1.440300      0.3718000    
 H    2.273500       3.252400      0.7434000    
 H    5.780900      0.4215000      -1.665800    
 H   -4.791400      -3.823800     -0.5190000    


%chk=000133606-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133606

0 1
O -0.947387 -0.318218 1.419869
O 1.615882 2.481646 -1.434825
O 1.357276 3.777630 0.481340
O -4.307942 -3.761641 -1.006972
O -3.076096 -4.391208 0.863306
N -0.135302 0.672451 -0.531149
N -0.895109 -2.853443 -0.025089
C -1.502522 2.777174 -0.844630
C -2.895010 2.128159 -0.628800
C -0.342213 2.061068 -0.086731
C 0.088675 -1.790705 -0.264828
C 1.434401 -2.189939 0.420634
C -0.380274 -0.412974 0.285065
C -3.927985 2.809839 -1.557909
C -3.349007 2.195622 0.849003
C 0.944330 2.866191 -0.261759
C 2.557854 -1.191137 0.188462
C -2.201725 -2.655178 -0.661987
C 3.339915 -1.241931 -0.994983
C 2.831483 -0.172098 1.137475
C 4.365233 -0.296943 -1.227313
C 3.856171 0.774203 0.911083
C -3.189243 -3.696105 -0.167205
C 4.626686 0.715713 -0.274096
H -1.536558 3.831862 -0.503772
H -1.259949 2.790048 -1.926115
H -2.820735 1.058923 -0.919423
H -0.571816 2.026669 0.991832
H 0.258582 -1.710250 -1.358648
H 0.410168 0.543317 -1.387958
H 1.235856 -2.300501 1.504036
H 1.700228 -3.187046 0.025088
H -4.037809 3.881995 -1.304000
H -3.628446 2.741618 -2.620833
H -4.921979 2.337526 -1.453655
H -4.373438 1.793581 0.956748
H -2.691601 1.600101 1.506553
H -3.359696 3.243058 1.208789
H -1.000361 -3.066603 0.977412
H -2.119663 -2.736553 -1.761538
H -2.668657 -1.659611 -0.447593
H 3.153436 -2.035347 -1.730262
H 2.236312 -0.122642 2.057699
H 4.966930 -0.358312 -2.141564
H 4.054325 1.551184 1.657904
H 2.482046 2.963390 -1.509959
H 5.433832 1.437854 -0.443674
H -4.963197 -4.410836 -0.632125


