%chk=000048625.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048625

1 1
 O    4.603500      -1.796400      -1.432400    
 N  -0.9909000       1.948700     -0.2252000    
 N    2.263900      -1.222000      0.2568000    
 C   7.1900003E-02   2.823600      0.4237000    
 C   0.9087000       1.998200       1.410800    
 C   -1.854400       1.313500      0.8551000    
 C    1.618300      0.8240000      0.7566000    
 C   -1.863100       2.801000      -1.135800    
 C  -0.3180000      0.8566000      -1.044100    
 C    1.917500       2.902500       2.128500    
 C    2.555700      0.9304000     -0.2667000    
 C    1.430900     -0.4762000       1.085100    
 C   -2.933300      0.4301000      0.3015000    
 C    2.948100     -0.3565000     -0.5663000    
 C    3.043600       2.166900     -0.9146000    
 C   0.6278000      -1.188200       2.022700    
 C    2.340700      -2.614100      0.3085000    
 C   -2.678100     -0.9206000      9.1899998E-02
 C   -4.179500      0.9703000      3.1999999E-03
 C    3.901000     -0.7608000      -1.558900    
 C   0.7002000      -2.532000       2.075000    
 C    1.581700      -3.280300       1.193700    
 C   -3.681400      -1.741500     -0.4228000    
 C   -5.182700      0.1492000     -0.5116000    
 C   -4.933600      -1.206700     -0.7246000    
 C    4.108000      6.5099999E-02  -2.836400    
 C   -6.006600      -2.084700      -1.273900    
 H   0.6482000       3.286200     -0.3811000    
 H  -0.4554000       3.626300      0.9550000    
 H   0.2837000       1.634300       2.231100    
 H   -2.285100       2.124900       1.456200    
 H   -1.251600      0.7053000       1.521000    
 H   -1.202800       3.341700      -1.822000    
 H   -2.534800       2.170800      -1.723300    
 H   -2.420000       3.515000     -0.5218000    
 H  -0.1807000     -6.7000002E-02 -0.5065000    
 H   -1.032700      0.5758000      -1.831100    
 H   0.5180000       1.271200      -1.604900    
 H    1.383700       3.614000       2.770100    
 H    2.578700       2.315400       2.776500    
 H    2.547600       3.499300       1.469400    
 H    2.700400       2.227300      -1.951600    
 H    2.727700       3.094200     -0.4479000    
 H    4.138500       2.193200     -0.9046000    
 H  -1.6200000E-02 -0.6577000       2.714000    
 H    2.994700      -3.142900     -0.3705000    
 H   -1.722700      -1.368400      0.3385000    
 H   -4.392400       2.021800      0.1743000    
 H   0.1068000      -3.092400       2.789300    
 H    1.602400      -4.360800       1.266700    
 H   -3.477300      -2.797700     -0.5779000    
 H   -6.155800      0.5766000     -0.7387000    
 H    4.792100      0.8937000      -2.646900    
 H    3.148500      0.4160000      -3.223700    
 H    4.551500     -0.5797000      -3.602100    
 H   -6.678300      -1.523200      -1.932100    
 H   -5.583200      -2.900600      -1.869700    
 H   -6.594600      -2.515200     -0.4573000    


%chk=000048625-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048625

1 1
O 4.503790 -2.246037 -1.543408
N -1.160239 1.928864 -0.359997
N 2.600707 -1.292909 0.383475
C -0.027411 2.725075 0.358041
C 0.944822 1.956527 1.297148
C -1.854943 0.947988 0.659022
C 1.756768 0.832351 0.672680
C -2.168993 2.950263 -0.875235
C -0.616284 1.151854 -1.554738
C 1.834555 3.025948 2.004372
C 2.717745 0.867966 -0.381315
C 1.702052 -0.510180 1.161012
C -3.089986 0.253735 0.136066
C 3.238183 -0.455627 -0.575520
C 3.114831 2.098176 -1.166307
C 0.981211 -1.140318 2.215115
C 2.766634 -2.657108 0.623315
C -2.991114 -1.014457 -0.496658
C -4.380903 0.815304 0.325068
C 4.226298 -0.997844 -1.520449
C 1.148523 -2.506165 2.458939
C 2.048271 -3.264819 1.645424
C -4.145200 -1.681955 -0.954902
C -5.532108 0.143727 -0.133422
C -5.436976 -1.115666 -0.784678
C 4.949682 -0.067991 -2.488819
C -6.679249 -1.851968 -1.243629
H 0.522601 3.236080 -0.450557
H -0.551148 3.493154 0.956060
H 0.333311 1.509285 2.103783
H -2.080865 1.577288 1.537936
H -1.072400 0.219951 0.923071
H -1.640758 3.677840 -1.510979
H -2.944749 2.432232 -1.455943
H -2.630619 3.468667 -0.021139
H 0.161895 0.458417 -1.209126
H -1.445652 0.604857 -2.026115
H -0.182755 1.868058 -2.270347
H 1.221836 3.745620 2.578906
H 2.517989 2.521870 2.707296
H 2.454073 3.595833 1.291034
H 2.833929 2.023432 -2.234091
H 2.647453 3.007895 -0.759358
H 4.205460 2.263476 -1.139870
H 0.325321 -0.539983 2.853806
H 3.477214 -3.161425 -0.032577
H -2.010564 -1.493744 -0.611951
H -4.492185 1.773564 0.848580
H 0.606014 -2.992578 3.274735
H 2.196496 -4.332850 1.821029
H -4.047333 -2.660617 -1.437981
H -6.519200 0.592199 0.025584
H 5.591420 0.653897 -1.950687
H 4.252240 0.506704 -3.122844
H 5.588489 -0.689641 -3.134417
H -7.490193 -1.154704 -1.514631
H -6.473183 -2.497386 -2.114272
H -7.066003 -2.504621 -0.437334


