%chk=000114368.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114368

0 1
 O   -3.286400      -1.816300      0.9017000    
 N    3.189300     -0.1244000      6.2199999E-02
 C    1.812300      0.3380000     -0.1098000    
 C    1.111300      0.4003000       1.251100    
 C    1.068400     -0.5920000      -1.073900    
 C   -1.106700     -0.1137000      0.1363000    
 C  -0.3538000      0.8139000       1.105600    
 C  -0.3963000     -0.1802000      -1.226700    
 C    3.875500     -0.1894000      -1.235800    
 C    3.910400      0.7461000       1.001300    
 C    5.302100     -0.7183000      -1.079600    
 C    5.338200      0.2477000       1.230700    
 C    6.098100      0.1184000     -8.4500000E-02
 C   -2.565300      0.2821000     -5.5999998E-03
 C   -3.580000     -0.5903000      0.3847000    
 C   -2.882200       1.532900     -0.5331000    
 C   -4.915200     -0.2106000      0.2473000    
 C   -4.217400       1.912300     -0.6705000    
 C   -5.233900       1.040500     -0.2804000    
 C   -3.168300      -2.897200     -2.1100000E-02
 H    1.809900       1.350000     -0.5410000    
 H    1.553400       1.148500       1.915700    
 H    1.166200     -0.5709000       1.760000    
 H    1.119300      -1.631700     -0.7254000    
 H    1.481000     -0.5619000      -2.086600    
 H   -1.042500      -1.118900      0.5711000    
 H  -0.8352000      0.7954000       2.091500    
 H  -0.3927000       1.854600      0.7595000    
 H  -0.4368000      0.7912000      -1.735400    
 H  -0.9072000     -0.8959000      -1.882600    
 H    3.894700      0.7933000      -1.724500    
 H    3.401100     -0.8968000      -1.920300    
 H    3.463400      0.7402000       1.998600    
 H    3.931300       1.784300      0.6451000    
 H    5.808100     -0.7142000      -2.051900    
 H    5.273400      -1.761100     -0.7384000    
 H    5.312100     -0.7274000       1.734000    
 H    5.869600      0.9369000       1.896900    
 H    7.079000     -0.3369000      9.0499997E-02
 H    6.275300       1.116100     -0.5044000    
 H   -2.108600       2.229200     -0.8442000    
 H   -5.712500     -0.8842000      0.5498000    
 H   -4.465900       2.886600      -1.081400    
 H   -6.273500       1.336100     -0.3873000    
 H   -2.436400      -2.673700     -0.8032000    
 H   -4.141100      -3.115300     -0.4729000    
 H   -2.832800      -3.780900      0.5284000    


%chk=000114368-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114368

0 1
O -3.129839 -1.993305 0.586282
N 3.378396 -0.002849 -0.079769
C 1.932986 0.386205 -0.199600
C 1.156845 0.320445 1.139038
C 1.223275 -0.534778 -1.229443
C -1.043609 -0.207797 -0.094719
C -0.332861 0.695557 0.951564
C -0.259943 -0.154861 -1.434937
C 4.159798 0.459439 -1.259609
C 4.058257 0.416574 1.173961
C 5.589159 -0.120946 -1.266323
C 5.485140 -0.168596 1.253245
C 6.332758 0.254133 0.033939
C -2.513425 0.168612 -0.260710
C -3.554621 -0.741972 0.092013
C -2.898282 1.436379 -0.757787
C -4.919200 -0.389536 -0.051582
C -4.255234 1.804240 -0.907354
C -5.265474 0.885931 -0.552008
C -4.158046 -2.964218 0.958477
H 1.854234 1.446624 -0.568339
H 1.597212 1.008908 1.884120
H 1.235496 -0.707052 1.550345
H 1.301346 -1.575173 -0.856347
H 1.744568 -0.506353 -2.204282
H -0.999585 -1.248466 0.277223
H -0.858371 0.622732 1.923141
H -0.405940 1.755504 0.631137
H -0.326884 0.865375 -1.866352
H -0.727837 -0.839758 -2.167874
H 4.223406 1.582008 -1.273408
H 3.635453 0.155309 -2.181780
H 3.479405 0.053977 2.038898
H 4.120016 1.536408 1.254223
H 6.133758 0.256990 -2.153587
H 5.525807 -1.222877 -1.353879
H 5.409451 -1.273069 1.284178
H 5.961555 0.162818 2.196599
H 7.330857 -0.222793 0.066873
H 6.496262 1.351840 0.060942
H -2.115921 2.153606 -1.034558
H -5.712252 -1.092290 0.221384
H -4.518488 2.794065 -1.295255
H -6.322297 1.154657 -0.660613
H -4.790600 -3.238225 0.091243
H -4.799589 -2.581765 1.776664
H -3.604443 -3.849259 1.306125


