%chk=000005761.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005761

0 1
 O    2.480200       1.609100       1.017100    
 N   0.4729000      -2.241800      0.4751000    
 N   -5.198300     -0.2437000      0.1998000    
 N    4.198100      0.4702000     -5.7399999E-02
 C  -0.7385000      -1.385100      0.5912000    
 C  -0.6067000      2.0099999E-02 -6.7299999E-02
 C   -2.050000      -2.169900      0.2259000    
 C    1.861200     -0.2866000     -0.2462000    
 C    1.681400      -1.447300      0.7414000    
 C   -3.220800      -1.254700      0.2186000    
 C   -1.835800      0.8415000     -0.1843000    
 C   -3.027700      0.1264000     -1.1000000E-03
 C   0.5910000      0.4819000     -0.4721000    
 C   -4.266700      0.7466000     -2.5900001E-02
 C   0.5883000      -2.973900     -0.7864000    
 C    2.865500      0.6842000      0.2970000    
 C   -4.573600      -1.462800      0.3455000    
 C   -1.950300       2.220300     -0.4077000    
 C   -4.394600       2.118200     -0.2476000    
 C   -3.207600       2.840400     -0.4409000    
 C    5.275500       1.337800      0.4008000    
 C    4.610200     -0.6392000     -0.9137000    
 C    5.854100      0.8463000       1.716900    
 C    4.592400     -0.2378000      -2.378800    
 H  -0.8336000      -1.166900       1.667900    
 H   -2.205000      -2.989000      0.9378000    
 H   -1.984400      -2.603900     -0.7784000    
 H    2.142500     -0.6596000      -1.232400    
 H    2.560600      -2.101900      0.7495000    
 H    1.624200      -1.064200       1.770800    
 H   0.6777000       1.440900     -0.9767000    
 H  -0.1513000      -3.779500     -0.8360000    
 H    1.562600      -3.471400     -0.8601000    
 H   0.4664000      -2.334400      -1.666700    
 H   -5.154400      -2.359200      0.5115000    
 H   -1.067800       2.839700     -0.5437000    
 H   -6.197800     -9.9500000E-02  0.2397000    
 H   -5.361900       2.607300     -0.2693000    
 H   -3.264600       3.912900     -0.6133000    
 H    6.052000       1.404600     -0.3685000    
 H    4.871700       2.345700      0.5488000    
 H    5.624300     -0.9446000     -0.6299000    
 H    3.987400      -1.521800     -0.7642000    
 H    5.083700      0.8028000       2.494000    
 H    6.279200     -0.1572000       1.613600    
 H    6.646700       1.519000       2.058500    
 H    3.606700      0.1092000      -2.701800    
 H    5.301600      0.5742000      -2.571000    
 H    4.877700      -1.087600      -3.006800    


%chk=000005761-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005761

0 1
O 2.675377 1.766721 0.889721
N 0.434650 -2.179454 0.441190
N -5.339921 -0.285750 0.269459
N 4.282004 0.421724 -0.114970
C -0.806974 -1.360569 0.553813
C -0.676327 0.041148 -0.114513
C -2.066912 -2.171411 0.113211
C 1.852465 -0.215558 -0.287952
C 1.622968 -1.364352 0.762441
C -3.289683 -1.293780 0.203788
C -1.926963 0.840163 -0.182916
C -3.132327 0.122485 0.016329
C 0.545308 0.535343 -0.472491
C -4.415141 0.745725 0.050056
C 0.596667 -2.958322 -0.805835
C 2.958621 0.737003 0.192558
C -4.654400 -1.520963 0.362431
C -2.053618 2.239612 -0.359307
C -4.537684 2.141651 -0.134049
C -3.335816 2.862786 -0.341315
C 5.346278 1.328093 0.384900
C 4.715208 -0.730940 -0.935979
C 5.888921 0.896013 1.763589
C 4.855482 -0.391099 -2.437592
H -0.944610 -1.154528 1.638490
H -2.137923 -3.078236 0.741700
H -1.942827 -2.506012 -0.935642
H 2.148758 -0.680111 -1.251647
H 2.508081 -2.025182 0.827641
H 1.474432 -0.896780 1.753791
H 0.623126 1.549987 -0.881519
H -0.157661 -3.760804 -0.860299
H 1.589436 -3.444420 -0.783575
H 0.525318 -2.355187 -1.742800
H -5.202328 -2.446907 0.528298
H -1.163723 2.866736 -0.479791
H -6.346402 -0.170641 0.359664
H -5.503726 2.657653 -0.114749
H -3.392879 3.949013 -0.477528
H 6.159679 1.351084 -0.365123
H 4.912788 2.339498 0.459980
H 5.689659 -1.076628 -0.540603
H 4.014573 -1.572299 -0.802081
H 5.080643 0.930784 2.513494
H 6.299659 -0.130634 1.735693
H 6.695554 1.577605 2.091447
H 3.882022 -0.097109 -2.869180
H 5.559346 0.446851 -2.588948
H 5.235224 -1.264203 -3.000077


