%chk=000091656.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091656

0 1
 O   -4.171700     -0.2977000      -1.234200    
 O   -1.566000      0.6581000     -0.4529000    
 N   -2.071900      -1.554500      0.2645000    
 N   -2.206000      -2.129400     -0.9200000    
 N   -1.464900      -3.573300      0.6918000    
 C   -4.397100       1.610600      0.2852000    
 C   -3.889400      0.1415000      9.9200003E-02
 C   -2.393800     -0.1216000      0.4185000    
 C   -4.235500       2.059100       1.750300    
 C   -3.674200       2.623300     -0.6210000    
 C   -5.902600       1.662700     -6.4000003E-02
 C  -0.2035000      0.5826000     -0.3452000    
 C   -1.639100      -2.384500       1.221000    
 C   0.4140000      0.9314000      0.8513000    
 C   0.5516000      0.1575000      -1.433300    
 C   -1.822300      -3.369600     -0.6102000    
 C    2.565400      0.4291000     -0.1261000    
 C    1.802400      0.8546000      0.9611000    
 C    1.940100      8.0499999E-02  -1.323400    
 C    4.005200      0.3496000     -1.2200000E-02
 C    4.793000       1.453800     -0.3385000    
 C    4.606800     -0.8311000      0.4242000    
 C    6.181400       1.377400     -0.2284000    
 C    5.995400     -0.9073000      0.5344000    
 C    6.782600      0.1971000      0.2080000    
 H   -4.487100     -0.5071000      0.7536000    
 H   -2.191300      0.1378000       1.463700    
 H   -4.726500       1.357700       2.433900    
 H   -3.181100       2.127400       2.037400    
 H   -4.679600       3.047900       1.912900    
 H   -4.173300       3.599500     -0.5856000    
 H   -3.667100       2.304600      -1.667900    
 H   -2.642700       2.799100     -0.3028000    
 H   -6.080900       1.426000      -1.118700    
 H   -6.319300       2.659500      0.1213000    
 H   -6.472600      0.9497000      0.5423000    
 H   -3.513100      0.1046000      -1.825200    
 H   -1.465100      -2.108500       2.251500    
 H  -0.1662000       1.276500       1.702100    
 H   6.8499997E-02 -0.1150000      -2.367300    
 H   -1.801600      -4.149100      -1.357100    
 H    2.274100       1.132600       1.900700    
 H    2.520000     -0.2533000      -2.180700    
 H    4.340700       2.382000     -0.6802000    
 H    4.008100      -1.701300      0.6827000    
 H    6.794600       2.237200     -0.4825000    
 H    6.463600      -1.826400      0.8742000    
 H    7.863600      0.1376000      0.2938000    


%chk=000091656-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091656

0 1
O -4.410663 -0.312580 -1.244800
O -1.602333 0.161079 -0.660338
N -2.480062 -1.699509 0.585291
N -3.178351 -2.555593 -0.284129
N -1.981325 -3.778926 1.271732
C -4.208321 1.775555 0.015987
C -3.970667 0.228559 0.028959
C -2.527425 -0.228662 0.393962
C -3.637406 2.421079 1.306457
C -3.588169 2.445000 -1.237090
C -5.749858 1.976940 -0.012781
C -0.210956 0.196883 -0.389834
C -1.772126 -2.460828 1.495096
C 0.369943 0.321717 0.894716
C 0.614590 0.165426 -1.537125
C -2.842771 -3.785282 0.178634
C 2.625075 0.376373 -0.120502
C 1.773583 0.407678 1.015048
C 2.010389 0.257640 -1.399522
C 4.106447 0.465331 0.019459
C 4.700169 1.231495 1.061064
C 4.968712 -0.215019 -0.884939
C 6.102419 1.312635 1.195549
C 6.371227 -0.131952 -0.754017
C 6.946811 0.631676 0.288013
H -4.591404 -0.186026 0.862553
H -2.244268 0.213973 1.365942
H -3.988438 1.899256 2.219430
H -2.530684 2.439467 1.308637
H -3.975807 3.470651 1.377381
H -3.868846 3.514841 -1.264037
H -3.962217 1.954284 -2.150484
H -2.488370 2.369156 -1.239191
H -6.187733 1.450014 -0.877057
H -5.994011 3.052238 -0.092588
H -6.224419 1.587097 0.908843
H -4.176710 -1.290102 -1.243904
H -1.136932 -2.042706 2.270532
H -0.238967 0.362654 1.804127
H 0.141781 0.080688 -2.520011
H -3.227171 -4.693662 -0.276185
H 2.212535 0.472555 2.016694
H 2.632251 0.262586 -2.301085
H 4.060807 1.794222 1.751154
H 4.538631 -0.838514 -1.677209
H 6.536414 1.915824 2.000953
H 7.014593 -0.671589 -1.458050
H 8.035631 0.695280 0.390865


