%chk=000025921.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025921

0 1
 N    2.994600      0.1874000     -0.3888000    
 N   -4.127900      -1.810400      0.2784000    
 C   0.7366000     -0.7535000     -0.7834000    
 C   0.8404000      -1.560600      -2.150500    
 C  -0.3365000      -1.398100      0.1672000    
 C   0.2953000      0.7341000     -0.9521000    
 C    2.163100     -0.7759000     -0.1297000    
 C   -1.797900      -1.317800     -0.3124000    
 C    1.204900      -3.046900      -1.988700    
 C    1.820400     -0.9594000      -3.177100    
 C    2.625100      -1.918100      0.7664000    
 C   0.1871000       1.542100      0.1514000    
 C   -2.748500      -1.882800      0.7456000    
 C   4.4300001E-02   1.118800      -2.240200    
 C    2.940700      -1.476100       2.194400    
 C  -0.2172000       2.880500     -6.8599999E-02
 C  -0.3529000       2.434900      -2.456400    
 C   0.4534000       1.111600       1.461400    
 C  -0.4833000       3.311200      -1.378600    
 C  -0.3432000       3.748800       1.028000    
 C    3.403800      -2.615800       3.090400    
 C   0.3228000       1.988000       2.539100    
 C   -4.516000     -0.4205000      3.1800002E-02
 C   -5.034200      -2.425800       1.249400    
 C  -7.4800000E-02   3.304100       2.322800    
 H  -0.1539000      -1.557500      -2.616900    
 H  -0.3125000      -1.112200       1.213500    
 H  -0.1205000      -2.469100      0.2505000    
 H   -1.918300      -1.871600      -1.250300    
 H   -2.036400     -0.2713000     -0.5099000    
 H   0.4829000      -3.589900      -1.375200    
 H    2.204100      -3.190700      -1.570700    
 H    1.199900      -3.537600      -2.969800    
 H    2.091600      8.8000000E-02  -3.035400    
 H    1.426900      -1.082900      -4.192800    
 H    2.778100      -1.495200      -3.152400    
 H    3.531200      -2.338400      0.3122000    
 H    1.888600      -2.722400      0.7865000    
 H   -2.477300      -2.930100      0.9303000    
 H   -2.622500      -1.343200       1.693700    
 H   1.1000000E-03  0.4957000      -3.118200    
 H    2.055600      -1.055500       2.673200    
 H    3.703300     -0.6893000       2.192100    
 H    3.891400      3.0800000E-02  8.1500001E-02
 H  -0.5877000       2.775400      -3.460900    
 H   0.8607000      0.1611000       1.727700    
 H  -0.8010000       4.334100      -1.570400    
 H  -0.6512000       4.782100      0.8823000    
 H    3.609300      -2.247500       4.100400    
 H    4.320000      -3.069700       2.699900    
 H    2.637200      -3.394100       3.160500    
 H   0.5538000       1.650300       3.545500    
 H   -4.286700      0.2368000      0.8785000    
 H   -5.595000     -0.3538000     -0.1552000    
 H   -4.052200     -2.0099999E-02 -0.8747000    
 H   -4.765800      -3.475200       1.415400    
 H   -6.063200      -2.423300      0.8727000    
 H   -5.018100      -1.908200       2.215500    
 H  -0.1709000       3.987300       3.161700    


%chk=000025921-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025921

0 1
N 3.064924 0.163319 -0.456374
N -4.097114 -2.095922 0.241161
C 0.775907 -0.668211 -0.695692
C 0.796589 -1.473530 -2.081686
C -0.300535 -1.311024 0.260568
C 0.367931 0.828649 -0.908104
C 2.216352 -0.778745 -0.121394
C -1.734599 -1.380685 -0.314542
C 0.887312 -3.016198 -1.953236
C 1.902670 -1.002481 -3.062655
C 2.639787 -1.988070 0.728634
C 0.400238 1.792782 0.186627
C -2.743043 -1.806423 0.773335
C -0.149131 1.269605 -2.135826
C 2.652471 -1.710963 2.260050
C -0.090605 3.144499 -0.033524
C -0.621658 2.599442 -2.351644
C 0.887998 1.496347 1.506491
C -0.595236 3.527891 -1.317697
C -0.074932 4.101797 1.036198
C 3.247274 -2.895158 3.050877
C 0.888744 2.443361 2.532079
C -4.767380 -0.905266 -0.321678
C -4.945631 -2.768876 1.246241
C 0.401034 3.765930 2.302157
H -0.188572 -1.272454 -2.545455
H -0.341231 -0.723880 1.196907
H 0.012665 -2.332170 0.548063
H -1.800397 -2.113443 -1.140943
H -2.009452 -0.393009 -0.727639
H 0.098229 -3.448526 -1.313839
H 1.869826 -3.342553 -1.569326
H 0.773170 -3.462555 -2.959167
H 2.033859 0.090662 -3.060664
H 1.659752 -1.333210 -4.090533
H 2.879977 -1.440676 -2.791273
H 3.670055 -2.267922 0.425080
H 2.003828 -2.869674 0.540156
H -2.375059 -2.734624 1.255376
H -2.773699 -1.016869 1.572657
H -0.202431 0.588388 -2.987141
H 1.621313 -1.517476 2.614593
H 3.240369 -0.793728 2.462331
H 4.024635 -0.023033 -0.086712
H -1.005365 2.875044 -3.340219
H 1.299756 0.510236 1.719010
H -0.956778 4.552493 -1.465155
H -0.449217 5.112730 0.833263
H 3.246395 -2.690911 4.137113
H 4.291867 -3.093417 2.745009
H 2.666091 -3.820903 2.880710
H 1.275314 2.171827 3.521093
H -4.919865 -0.089819 0.432169
H -5.757247 -1.195086 -0.717640
H -4.178669 -0.491341 -1.156946
H -4.452459 -3.696166 1.589531
H -5.914002 -3.045373 0.791302
H -5.157459 -2.136330 2.147104
H 0.408032 4.504298 3.111421


