%chk=000045687.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045687

2 1
 N    4.144300     -5.6699999E-02 -5.1399998E-02
 N   -3.831700     -0.1685000      0.1796000    
 C    2.662500     -0.3973000     -0.1194000    
 C    4.386400       1.290300     -0.7170000    
 C    4.945200      -1.130700     -0.7735000    
 C    4.583100      1.0700000E-02   1.404300    
 C    1.821900      0.8487000      0.1371000    
 C   -2.408900      8.9900002E-02  0.1694000    
 C   -4.241400      -1.598900      0.6525000    
 C   -4.586200      0.8015000       1.133200    
 C   -4.453600     -1.9700000E-02  -1.238200    
 C   0.3365000      0.5842000      0.1488000    
 C    3.948400       1.217300      -2.163400    
 C    4.700400      -2.467000     -0.1075000    
 C    6.056600      0.3493000       1.465500    
 C   -1.675600      2.0000001E-03   1.352600    
 C   -1.769600      0.4248000      -1.024300    
 C  -0.3030000      0.2492000       1.342400    
 C  -0.3969000      0.6720000      -1.034500    
 C   -3.618800      -2.625500     -0.2682000    
 C   -4.361100       2.225900      0.6751000    
 C   -5.938400     -0.3012000      -1.163100    
 H    2.445900      -1.152700      0.6456000    
 H    2.434100     -0.8383000      -1.096900    
 H    5.463100       1.484700     -0.7318000    
 H    3.923300       2.096900     -0.1409000    
 H    6.002000     -0.8580000     -0.8264000    
 H    4.574400      -1.207200      -1.800800    
 H    4.343900     -0.9247000       1.917300    
 H    4.012500      0.8059000       1.895200    
 H    1.957500       1.640100     -0.6049000    
 H    2.079300       1.306400       1.100000    
 H   -3.827000      -1.720800       1.660700    
 H   -5.323800      -1.692500      0.7639000    
 H   -4.170800      0.6621000       2.138100    
 H   -5.642600      0.5368000       1.209100    
 H   -3.976800     -0.7186000      -1.933000    
 H   -4.293400      0.9996000      -1.603700    
 H    4.661400      0.6592000      -2.779200    
 H    2.951400      0.8183000      -2.354600    
 H    3.952200       2.234600      -2.574300    
 H    5.135400      -2.539700      0.8925000    
 H    3.650600      -2.766200     -6.7900002E-02
 H    5.205400      -3.241000     -0.6990000    
 H    6.712500     -0.3978000       1.014700    
 H    6.306000       1.340300       1.080600    
 H    6.346400      0.3793000       2.523900    
 H   -2.140600     -0.2644000       2.297200    
 H   -2.258900      0.5154000      -1.986300    
 H   0.2586000      0.1732000       2.269700    
 H   9.1499999E-02  0.9292000      -1.970900    
 H   -4.119700      -2.690400      -1.237600    
 H   -2.547800      -2.479200     -0.4316000    
 H   -3.729400      -3.616600      0.1879000    
 H   -3.309200       2.494600      0.5494000    
 H   -4.901200       2.466400     -0.2443000    
 H   -4.760900       2.904100       1.438500    
 H   -6.204100      -1.340500     -0.9601000    
 H   -6.515400      0.3684000     -0.5247000    
 H   -6.344900     -0.1225000      -2.168600    


%chk=000045687-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045687

2 1
N 4.212563 -0.006294 -0.118007
N -3.956692 -0.218478 0.143151
C 2.678034 -0.222738 -0.121665
C 4.624912 1.167062 -1.052855
C 4.893282 -1.311089 -0.631550
C 4.674913 0.329197 1.331029
C 1.821886 1.017187 0.240943
C -2.457741 0.079448 0.122627
C -4.188722 -1.718352 0.520250
C -4.639099 0.649001 1.256330
C -4.617604 0.082650 -1.233031
C 0.333660 0.668988 0.194094
C 4.146007 1.064510 -2.505242
C 4.725625 -2.547238 0.259575
C 6.191032 0.420474 1.542087
C -1.710278 -0.144547 1.303365
C -1.810901 0.586979 -1.024456
C -0.331556 0.147142 1.332973
C -0.427765 0.875706 -0.980342
C -3.613753 -2.721708 -0.481269
C -4.561141 2.158557 1.020568
C -6.123246 -0.192174 -1.309577
H 2.481296 -1.038375 0.593456
H 2.414024 -0.586199 -1.128929
H 5.725632 1.200977 -1.018873
H 4.248444 2.088059 -0.576758
H 5.959817 -1.063971 -0.760073
H 4.467059 -1.498257 -1.630692
H 4.238118 -0.450638 1.976914
H 4.200278 1.291788 1.583347
H 2.021235 1.842379 -0.464851
H 2.073620 1.377709 1.253559
H -3.738489 -1.853932 1.516506
H -5.278672 -1.835875 0.628227
H -4.142601 0.371002 2.199745
H -5.682945 0.301139 1.313182
H -4.079059 -0.530101 -1.972788
H -4.414905 1.143971 -1.444093
H 4.565386 0.198173 -3.041936
H 3.047220 1.049417 -2.603891
H 4.502716 1.965017 -3.035680
H 5.171867 -2.427988 1.260366
H 3.677201 -2.871166 0.368046
H 5.262575 -3.379512 -0.229207
H 6.717143 -0.525729 1.336366
H 6.665845 1.228984 0.962841
H 6.362878 0.655299 2.607563
H -2.175731 -0.530695 2.215406
H -2.343868 0.780831 -1.956390
H 0.218439 -0.012152 2.267515
H 0.046408 1.292769 -1.876245
H -4.134549 -2.707768 -1.452925
H -2.533109 -2.576217 -0.648718
H -3.749007 -3.734088 -0.061828
H -3.524943 2.510756 0.881445
H -5.174571 2.494348 0.168224
H -4.960591 2.662442 1.918160
H -6.387424 -1.252007 -1.160225
H -6.718224 0.427021 -0.618399
H -6.450932 0.073007 -2.330572


